1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine

C18H31N3 — CID 134340884

IUPAC1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCC(N(C)C)CC1
InChIInChI=1S/C18H31N3/c1-6-15(2)18(21-11-7-8-12-21)16(3)20-13-9-17(10-14-20)19(4)5/h7,11,17H,3,6,8-10,12-14H2,1-2,4-5H3/b18-15-
InChIKeyGGFUMIQRJNDHBM-SDXDJHTJSA-N
MW289.47 g/mol
LogP3.43
Rot. Bonds5

About 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine

1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 134340884) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID134340884
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCC(N(C)C)CC1
InChIInChI=1S/C18H31N3/c1-6-15(2)18(21-11-7-8-12-21)16(3)20-13-9-17(10-14-20)19(4)5/h7,11,17H,3,6,8-10,12-14H2,1-2,4-5H3/b18-15-
InChIKeyGGFUMIQRJNDHBM-SDXDJHTJSA-N
XLogP3.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine (CID 134340884) is 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine is C=C(/C(=C(\C)CC)N1C=CCC1)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is GGFUMIQRJNDHBM-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-15(2)18(21-11-7-8-12-21)16(3)20-13-9-17(10-14-20)19(4)5/h7,11,17H,3,6,8-10,12-14H2,1-2,4-5H3/b18-15-.
What are the key properties of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 134340884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).