1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine

C16H29N — CID 114192236

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H29N/c1-17-16(9-7-12-4-2-3-5-12)15-11-13-6-8-14(15)10-13/h12-17H,2-11H2,1H3
InChIKeyWRYRMFZRUVSOAM-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine (PubChem CID 114192236) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
PubChem CID114192236
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H29N/c1-17-16(9-7-12-4-2-3-5-12)15-11-13-6-8-14(15)10-13/h12-17H,2-11H2,1H3
InChIKeyWRYRMFZRUVSOAM-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-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

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 113383516
3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine
CID 114242028
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
CID 61365938
1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine
CID 105266785
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclohexylpropanamide
CID 98329878
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61365937
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentyl]hydrazine
CID 105266865
3-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 104989179
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050823
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine (CID 114192236) is 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine is CNC(CCC1CCCC1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is WRYRMFZRUVSOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-17-16(9-7-12-4-2-3-5-12)15-11-13-6-8-14(15)10-13/h12-17H,2-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 114192236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).