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

C18H33N3 — CID 134340886

IUPAC1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC/C(C)=C(/C(C)N1CCC(N(C)C)CC1)N1C=CCC1
InChIInChI=1S/C18H33N3/c1-6-15(2)18(21-11-7-8-12-21)16(3)20-13-9-17(10-14-20)19(4)5/h7,11,16-17H,6,8-10,12-14H2,1-5H3/b18-15-
InChIKeyAYELEOKQZQCAKE-SDXDJHTJSA-N
MW291.48 g/mol
LogP3.30
Rot. Bonds5

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

1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 134340886) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID134340886
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCC/C(C)=C(/C(C)N1CCC(N(C)C)CC1)N1C=CCC1
InChIInChI=1S/C18H33N3/c1-6-15(2)18(21-11-7-8-12-21)16(3)20-13-9-17(10-14-20)19(4)5/h7,11,16-17H,6,8-10,12-14H2,1-5H3/b18-15-
InChIKeyAYELEOKQZQCAKE-SDXDJHTJSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine (CID 134340886) is 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine is CC/C(C)=C(/C(C)N1CCC(N(C)C)CC1)N1C=CCC1.
What is the InChIKey of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AYELEOKQZQCAKE-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-15(2)18(21-11-7-8-12-21)16(3)20-13-9-17(10-14-20)19(4)5/h7,11,16-17H,6,8-10,12-14H2,1-5H3/b18-15-.
What are the key properties of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 291.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 134340886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).