3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine

C19H34N2 — CID 90739040

IUPAC3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine
SMILESCCC(C)CC1(C2=CC=CC2)CCN(CCCNC)CC1
InChIInChI=1S/C19H34N2/c1-4-17(2)16-19(18-8-5-6-9-18)10-14-21(15-11-19)13-7-12-20-3/h5-6,8,17,20H,4,7,9-16H2,1-3H3
InChIKeyIZYURBBRHNAOLG-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.00
Rot. Bonds8

About 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine

3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine (PubChem CID 90739040) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine
PubChem CID90739040
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine
SMILESCCC(C)CC1(C2=CC=CC2)CCN(CCCNC)CC1
InChIInChI=1S/C19H34N2/c1-4-17(2)16-19(18-8-5-6-9-18)10-14-21(15-11-19)13-7-12-20-3/h5-6,8,17,20H,4,7,9-16H2,1-3H3
InChIKeyIZYURBBRHNAOLG-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine (CID 90739040) is 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine is CCC(C)CC1(C2=CC=CC2)CCN(CCCNC)CC1.
What is the InChIKey of 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine?
The InChIKey is IZYURBBRHNAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-17(2)16-19(18-8-5-6-9-18)10-14-21(15-11-19)13-7-12-20-3/h5-6,8,17,20H,4,7,9-16H2,1-3H3.
What are the key properties of 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine?
3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopenta-1,3-dien-1-yl-4-(2-methylbutyl)piperidin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 90739040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).