(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine

C27H40N4 — CID 166804251

IUPAC(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine
SMILESCc1nc(/C(N)=C(\CC(C)CCc2ccccc2)N(C)N)ccc1CC1CCCCC1
InChIInChI=1S/C27H40N4/c1-20(14-15-22-10-6-4-7-11-22)18-26(31(3)29)27(28)25-17-16-24(21(2)30-25)19-23-12-8-5-9-13-23/h4,6-7,10-11,16-17,20,23H,5,8-9,12-15,18-19,28-29H2,1-3H3/b27-26-
InChIKeyPECWJPBNQKSMAB-RQZHXJHFSA-N
MW420.65 g/mol
LogP5.60
Rot. Bonds9

About (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine

(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine (PubChem CID 166804251) has the molecular formula C27H40N4 and a molecular weight of 420.65 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine
PubChem CID166804251
Molecular FormulaC27H40N4
Molecular Weight420.65 g/mol
Exact Mass420.33
IUPAC Name(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine
SMILESCc1nc(/C(N)=C(\CC(C)CCc2ccccc2)N(C)N)ccc1CC1CCCCC1
InChIInChI=1S/C27H40N4/c1-20(14-15-22-10-6-4-7-11-22)18-26(31(3)29)27(28)25-17-16-24(21(2)30-25)19-23-12-8-5-9-13-23/h4,6-7,10-11,16-17,20,23H,5,8-9,12-15,18-19,28-29H2,1-3H3/b27-26-
InChIKeyPECWJPBNQKSMAB-RQZHXJHFSA-N
XLogP5.60
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.65
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-(cyclohexylmethyl)-6-ethyl-2-pyridinyl]prop-2-enyl] N-benzylcarbamate
CID 154936308
(Z)-3-[amino-[(Z)-2-amino-3-phenylprop-1-enyl]amino]-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-en-1-amine
CID 167298322
(Z)-2-[amino(methyl)amino]-3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-en-1-amine
CID 167298658
3-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 166804406
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
CID 167298819
3-methyl-5-phenylpentanamide
CID 66761020
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] N-methyl-N-pentan-2-ylcarbamate
CID 154936261
(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'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]prop-1-ene-1,3-diamine
CID 167298559
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'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine
CID 167262322
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine (CID 166804251) is (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine is Cc1nc(/C(N)=C(\CC(C)CCc2ccccc2)N(C)N)ccc1CC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine?
The InChIKey is PECWJPBNQKSMAB-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H40N4/c1-20(14-15-22-10-6-4-7-11-22)18-26(31(3)29)27(28)25-17-16-24(21(2)30-25)19-23-12-8-5-9-13-23/h4,6-7,10-11,16-17,20,23H,5,8-9,12-15,18-19,28-29H2,1-3H3/b27-26-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine?
(Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine has a molecular weight of 420.65 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-[5-(cyclohexylmethyl)-6-methyl-2-pyridinyl]-4-methyl-6-phenylhex-1-en-1-amine is sourced from PubChem (CID 166804251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).