(2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine

C22H34N2 — CID 143494618

IUPAC(2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine
SMILESC=C/C=C\C(C)=C1/CC=C(C)C(N(CC(C)CCC)CC2CC2)=N1
InChIInChI=1S/C22H34N2/c1-6-8-10-18(4)21-14-11-19(5)22(23-21)24(16-20-12-13-20)15-17(3)9-7-2/h6,8,10-11,17,20H,1,7,9,12-16H2,2-5H3/b10-8-,21-18+
InChIKeyZDWBSDZNOKDFQG-DAJQFMFISA-N
MW326.53 g/mol
LogP5.90
Rot. Bonds8

About (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine

(2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine (PubChem CID 143494618) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine.

Molecular Properties

Compound Name(2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine
PubChem CID143494618
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name(2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine
SMILESC=C/C=C\C(C)=C1/CC=C(C)C(N(CC(C)CCC)CC2CC2)=N1
InChIInChI=1S/C22H34N2/c1-6-8-10-18(4)21-14-11-19(5)22(23-21)24(16-20-12-13-20)15-17(3)9-7-2/h6,8,10-11,17,20H,1,7,9,12-16H2,2-5H3/b10-8-,21-18+
InChIKeyZDWBSDZNOKDFQG-DAJQFMFISA-N
XLogP5.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine?
The IUPAC name of (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine (CID 143494618) is (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine.
What is the SMILES notation for (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine?
The canonical SMILES for (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine is C=C/C=C\C(C)=C1/CC=C(C)C(N(CC(C)CCC)CC2CC2)=N1.
What is the InChIKey of (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine?
The InChIKey is ZDWBSDZNOKDFQG-DAJQFMFISA-N. The full InChI is InChI=1S/C22H34N2/c1-6-8-10-18(4)21-14-11-19(5)22(23-21)24(16-20-12-13-20)15-17(3)9-7-2/h6,8,10-11,17,20H,1,7,9,12-16H2,2-5H3/b10-8-,21-18+.
What are the key properties of (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine?
(2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine has a molecular weight of 326.53 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(cyclopropylmethyl)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-5-methyl-N-(2-methylpentyl)-3H-pyridin-6-amine is sourced from PubChem (CID 143494618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).