1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine

C16H25N — CID 166969908

IUPAC1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1(C2=C(C3(C)CC3)CCC=C2)CC1
InChIInChI=1S/C16H25N/c1-12(2)17-16(10-11-16)14-7-5-4-6-13(14)15(3)8-9-15/h5,7,12,17H,4,6,8-11H2,1-3H3
InChIKeyKVHGPVRPWIYCSL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine

1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine (PubChem CID 166969908) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine
PubChem CID166969908
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1(C2=C(C3(C)CC3)CCC=C2)CC1
InChIInChI=1S/C16H25N/c1-12(2)17-16(10-11-16)14-7-5-4-6-13(14)15(3)8-9-15/h5,7,12,17H,4,6,8-11H2,1-3H3
InChIKeyKVHGPVRPWIYCSL-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-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

Related Compounds

4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
CID 176715947
(8aS)-4,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
CID 163043079
2-(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl)-9,9-dimethyl-3,4,5,6-tetrahydrofluorene
CID 123554615
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308
N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
CID 58430969
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
CID 146535079
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479
1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
2-methyl-N-propan-2-yloxolan-2-amine
CID 23268712
(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-1-yl)methanamine
CID 144827686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine (CID 166969908) is 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine is CC(C)NC1(C2=C(C3(C)CC3)CCC=C2)CC1.
What is the InChIKey of 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is KVHGPVRPWIYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)17-16(10-11-16)14-7-5-4-6-13(14)15(3)8-9-15/h5,7,12,17H,4,6,8-11H2,1-3H3.
What are the key properties of 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine?
1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylcyclopropyl)cyclohexa-1,5-dien-1-yl]-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 166969908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).