N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine

C18H28N2 — CID 138751194

IUPACN-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine
SMILESC=C/C(=N\C)C(=C)N(CCC)C(CC)C1C=CC=CC1
InChIInChI=1S/C18H28N2/c1-6-14-20(15(4)17(7-2)19-5)18(8-3)16-12-10-9-11-13-16/h7,9-12,16,18H,2,4,6,8,13-14H2,1,3,5H3/b19-17+
InChIKeyJLTCBPMIBUFBEC-HTXNQAPBSA-N
MW272.44 g/mol
LogP4.38
Rot. Bonds8

About N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine

N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine (PubChem CID 138751194) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine
PubChem CID138751194
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine
SMILESC=C/C(=N\C)C(=C)N(CCC)C(CC)C1C=CC=CC1
InChIInChI=1S/C18H28N2/c1-6-14-20(15(4)17(7-2)19-5)18(8-3)16-12-10-9-11-13-16/h7,9-12,16,18H,2,4,6,8,13-14H2,1,3,5H3/b19-17+
InChIKeyJLTCBPMIBUFBEC-HTXNQAPBSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine?
The IUPAC name of N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine (CID 138751194) is N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine.
What is the SMILES notation for N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine?
The canonical SMILES for N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine is C=C/C(=N\C)C(=C)N(CCC)C(CC)C1C=CC=CC1.
What is the InChIKey of N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine?
The InChIKey is JLTCBPMIBUFBEC-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H28N2/c1-6-14-20(15(4)17(7-2)19-5)18(8-3)16-12-10-9-11-13-16/h7,9-12,16,18H,2,4,6,8,13-14H2,1,3,5H3/b19-17+.
What are the key properties of N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine?
N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine has a molecular weight of 272.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine is sourced from PubChem (CID 138751194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).