4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine

C17H29N3 — CID 89209337

IUPAC4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
SMILESC/C=C\C=C(/C/C=C\C=N\C)NCC1CCC(N)CC1
InChIInChI=1S/C17H29N3/c1-3-4-7-17(8-5-6-13-19-2)20-14-15-9-11-16(18)12-10-15/h3-7,13,15-16,20H,8-12,14,18H2,1-2H3/b4-3-,6-5-,17-7+,19-13+
InChIKeyTXNZMGHZAJHKTF-NDEARKGPSA-N
MW275.44 g/mol
LogP3.20
Rot. Bonds7

About 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine

4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine (PubChem CID 89209337) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
PubChem CID89209337
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
SMILESC/C=C\C=C(/C/C=C\C=N\C)NCC1CCC(N)CC1
InChIInChI=1S/C17H29N3/c1-3-4-7-17(8-5-6-13-19-2)20-14-15-9-11-16(18)12-10-15/h3-7,13,15-16,20H,8-12,14,18H2,1-2H3/b4-3-,6-5-,17-7+,19-13+
InChIKeyTXNZMGHZAJHKTF-NDEARKGPSA-N
XLogP3.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine (CID 89209337) is 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine is C/C=C\C=C(/C/C=C\C=N\C)NCC1CCC(N)CC1.
What is the InChIKey of 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine?
The InChIKey is TXNZMGHZAJHKTF-NDEARKGPSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-4-7-17(8-5-6-13-19-2)20-14-15-9-11-16(18)12-10-15/h3-7,13,15-16,20H,8-12,14,18H2,1-2H3/b4-3-,6-5-,17-7+,19-13+.
What are the key properties of 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine?
4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 89209337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).