N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine

C13H21N — CID 130666268

IUPACN-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC[C@@H]2CC3C=CC2C3)C1
InChIInChI=1S/C13H21N/c1-9-4-13(5-9)14-8-12-7-10-2-3-11(12)6-10/h2-3,9-14H,4-8H2,1H3/t9?,10?,11?,12-,13?/m0/s1
InChIKeyZPOHRBWNQDMYGB-RFMXUXEOSA-N
MW191.32 g/mol
LogP2.59
Rot. Bonds3

About N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine

N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine (PubChem CID 130666268) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
PubChem CID130666268
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC[C@@H]2CC3C=CC2C3)C1
InChIInChI=1S/C13H21N/c1-9-4-13(5-9)14-8-12-7-10-2-3-11(12)6-10/h2-3,9-14H,4-8H2,1H3/t9?,10?,11?,12-,13?/m0/s1
InChIKeyZPOHRBWNQDMYGB-RFMXUXEOSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
CID 102610282
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
CID 124527653
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-tert-butylpiperidin-4-amine
CID 54866698
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
cis-(1S,3R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 98220516
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 75425268
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpiperidin-4-amine
CID 113253498
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115685818
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 98220464

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine (CID 130666268) is N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine is CC1CC(NC[C@@H]2CC3C=CC2C3)C1.
What is the InChIKey of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine?
The InChIKey is ZPOHRBWNQDMYGB-RFMXUXEOSA-N. The full InChI is InChI=1S/C13H21N/c1-9-4-13(5-9)14-8-12-7-10-2-3-11(12)6-10/h2-3,9-14H,4-8H2,1H3/t9?,10?,11?,12-,13?/m0/s1.
What are the key properties of N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine?
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 130666268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).