(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine

C17H28N2 — CID 137468664

IUPAC(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=N/C=C(C(/C)=C(\CCNC)C(=C)C)\C1CCCC1
InChIInChI=1S/C17H28N2/c1-13(2)16(10-11-18-4)14(3)17(12-19-5)15-8-6-7-9-15/h12,15,18H,1,5-11H2,2-4H3/b16-14+,17-12-
InChIKeyUFVQERSHRVTLSG-XKOSHKPESA-N
MW260.42 g/mol
LogP4.26
Rot. Bonds7

About (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine

(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine (PubChem CID 137468664) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine
PubChem CID137468664
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=N/C=C(C(/C)=C(\CCNC)C(=C)C)\C1CCCC1
InChIInChI=1S/C17H28N2/c1-13(2)16(10-11-18-4)14(3)17(12-19-5)15-8-6-7-9-15/h12,15,18H,1,5-11H2,2-4H3/b16-14+,17-12-
InChIKeyUFVQERSHRVTLSG-XKOSHKPESA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine (CID 137468664) is (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine is C=N/C=C(C(/C)=C(\CCNC)C(=C)C)\C1CCCC1.
What is the InChIKey of (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The InChIKey is UFVQERSHRVTLSG-XKOSHKPESA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)16(10-11-18-4)14(3)17(12-19-5)15-8-6-7-9-15/h12,15,18H,1,5-11H2,2-4H3/b16-14+,17-12-.
What are the key properties of (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine?
(3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine has a molecular weight of 260.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-cyclopentyl-N,4-dimethyl-6-(methylideneamino)-3-prop-1-en-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 137468664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).