(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine

C22H34N8O — CID 167298437

IUPAC(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2cnn(C3CCC3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C22H34N8O/c1-15-20(31-17-9-4-3-5-10-17)12-11-18(27-15)22(23)19(29(2)24)13-25-21-14-26-30(28-21)16-7-6-8-16/h11-12,14,16-17H,3-10,13,23-24H2,1-2H3,(H,25,28)/b22-19-
InChIKeyBUBZGHZNDOQFGX-QOCHGBHMSA-N
MW426.57 g/mol
LogP2.96
Rot. Bonds8

About (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine

(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine (PubChem CID 167298437) has the molecular formula C22H34N8O and a molecular weight of 426.57 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
PubChem CID167298437
Molecular FormulaC22H34N8O
Molecular Weight426.57 g/mol
Exact Mass426.29
IUPAC Name(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2cnn(C3CCC3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C22H34N8O/c1-15-20(31-17-9-4-3-5-10-17)12-11-18(27-15)22(23)19(29(2)24)13-25-21-14-26-30(28-21)16-7-6-8-16/h11-12,14,16-17H,3-10,13,23-24H2,1-2H3,(H,25,28)/b22-19-
InChIKeyBUBZGHZNDOQFGX-QOCHGBHMSA-N
XLogP2.96
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[2-(2-methylpropyl)triazol-4-yl]prop-1-ene-1,3-diamine
CID 167298547
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]prop-1-ene-1,3-diamine
CID 167298559
methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804155
(Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
CID 167298674
(Z)-2-[amino(methyl)amino]-N'-(2-benzyltetrazol-5-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
CID 167298501
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(3-propan-2-yl-1,2-oxazol-5-yl)prop-1-ene-1,3-diamine
CID 167298794
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-1-ene-1,3-diamine
CID 167298312
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine
CID 167298735
(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
CID 154936315
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine
CID 167262674
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[cyclopentylmethyl(methyl)amino]sulfanylprop-1-ene-1,3-diamine
CID 166804398
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]prop-1-ene-1,3-diamine
CID 167298433

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine (CID 167298437) is (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine is Cc1nc(/C(N)=C(\CNc2cnn(C3CCC3)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
The InChIKey is BUBZGHZNDOQFGX-QOCHGBHMSA-N. The full InChI is InChI=1S/C22H34N8O/c1-15-20(31-17-9-4-3-5-10-17)12-11-18(27-15)22(23)19(29(2)24)13-25-21-14-26-30(28-21)16-7-6-8-16/h11-12,14,16-17H,3-10,13,23-24H2,1-2H3,(H,25,28)/b22-19-.
What are the key properties of (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine has a molecular weight of 426.57 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).