(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol

C18H30N4O2 — CID 154936315

IUPAC(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
SMILESCc1nc(/C(N)=C(\CCCO)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-13-17(24-14-7-4-3-5-8-14)11-10-15(21-13)18(19)16(22(2)20)9-6-12-23/h10-11,14,23H,3-9,12,19-20H2,1-2H3/b18-16-
InChIKeyAMRMKQYGPNEUEW-VLGSPTGOSA-N
MW334.46 g/mol
LogP2.31
Rot. Bonds7

About (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol

(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol (PubChem CID 154936315) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
PubChem CID154936315
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
SMILESCc1nc(/C(N)=C(\CCCO)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C18H30N4O2/c1-13-17(24-14-7-4-3-5-8-14)11-10-15(21-13)18(19)16(22(2)20)9-6-12-23/h10-11,14,23H,3-9,12,19-20H2,1-2H3/b18-16-
InChIKeyAMRMKQYGPNEUEW-VLGSPTGOSA-N
XLogP2.31
TPSA97.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-6-amino-5-[amino(methyl)amino]-N-benzyl-6-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N-methylhex-5-enamide
CID 154936062
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
CID 167298819
methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804155
N'-[amino-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]amino]cyclopropanecarboximidamide
CID 167298922
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(5-cyclopropyltriazol-1-yl)prop-1-en-1-amine
CID 167298670
(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)-3-(4-cyclopropyltriazol-1-yl)prop-1-en-1-amine
CID 167298671
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine
CID 167298638
2-[amino-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]amino]-1-butyl-1-methylguanidine
CID 167298913
3-methoxypropyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804132
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] 2-methylazetidine-1-carboxylate
CID 154935999
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-3-(2-methylpropyl)urea
CID 166804318

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol?
The IUPAC name of (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol (CID 154936315) is (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol.
What is the SMILES notation for (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol?
The canonical SMILES for (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol is Cc1nc(/C(N)=C(\CCCO)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol?
The InChIKey is AMRMKQYGPNEUEW-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-17(24-14-7-4-3-5-8-14)11-10-15(21-13)18(19)16(22(2)20)9-6-12-23/h10-11,14,23H,3-9,12,19-20H2,1-2H3/b18-16-.
What are the key properties of (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol?
(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol has a molecular weight of 334.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol is sourced from PubChem (CID 154936315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).