(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

C22H36N8O — CID 167298547

IUPAC(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
SMILESCc1nc(/C(N)=C(\CNc2cnn(CC(C)C)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C22H36N8O/c1-15(2)14-30-26-13-21(28-30)25-12-19(29(4)24)22(23)18-10-11-20(16(3)27-18)31-17-8-6-5-7-9-17/h10-11,13,15,17H,5-9,12,14,23-24H2,1-4H3,(H,25,28)/b22-19-
InChIKeyWPSWQWSERSLSKW-QOCHGBHMSA-N
MW428.59 g/mol
LogP2.89
Rot. Bonds9

About (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

(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 (PubChem CID 167298547) has the molecular formula C22H36N8O and a molecular weight of 428.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167298547
Molecular FormulaC22H36N8O
Molecular Weight428.59 g/mol
Exact Mass428.30
IUPAC Name(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
SMILESCc1nc(/C(N)=C(\CNc2cnn(CC(C)C)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C22H36N8O/c1-15(2)14-30-26-13-21(28-30)25-12-19(29(4)24)22(23)18-10-11-20(16(3)27-18)31-17-8-6-5-7-9-17/h10-11,13,15,17H,5-9,12,14,23-24H2,1-4H3,(H,25,28)/b22-19-
InChIKeyWPSWQWSERSLSKW-QOCHGBHMSA-N
XLogP2.89
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.59
LogP ≤ 52.89
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'}

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Related Compounds

(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
(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'-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]prop-1-ene-1,3-diamine
CID 167298433
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-3-(2-methylpropyl)urea
CID 166804318
(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]-N'-(2-benzyltetrazol-5-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
CID 167298501
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-3-(3-methylbutyl)urea
CID 166804370
methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804155
3-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 166804321
(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
(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
butan-2-yl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804323

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(/C(N)=C(\CNc2cnn(CC(C)C)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (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?
The InChIKey is WPSWQWSERSLSKW-QOCHGBHMSA-N. The full InChI is InChI=1S/C22H36N8O/c1-15(2)14-30-26-13-21(28-30)25-12-19(29(4)24)22(23)18-10-11-20(16(3)27-18)31-17-8-6-5-7-9-17/h10-11,13,15,17H,5-9,12,14,23-24H2,1-4H3,(H,25,28)/b22-19-.
What are the key properties of (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?
(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 has a molecular weight of 428.59 g/mol, XLogP of 2.89, 9 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]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[2-(2-methylpropyl)triazol-4-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).