N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine

C14H24N2 — CID 124527653

IUPACN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C14H24N2/c1-16-6-4-14(5-7-16)15-10-13-9-11-2-3-12(13)8-11/h2-3,11-15H,4-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyXONYYPVLFNIHLU-RWMBFGLXSA-N
MW220.36 g/mol
LogP1.88
Rot. Bonds3

About N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 124527653) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
PubChem CID124527653
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1
InChIInChI=1S/C14H24N2/c1-16-6-4-14(5-7-16)15-10-13-9-11-2-3-12(13)8-11/h2-3,11-15H,4-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyXONYYPVLFNIHLU-RWMBFGLXSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-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)-1-tert-butylpiperidin-4-amine
CID 54866698
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 98220464
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpiperidin-4-amine
CID 113253498
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-3-methoxypropan-1-one
CID 98233747
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 75425268
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-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43791725
tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate
CID 103745434
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115685818

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine (CID 124527653) is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1.
What is the InChIKey of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is XONYYPVLFNIHLU-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H24N2/c1-16-6-4-14(5-7-16)15-10-13-9-11-2-3-12(13)8-11/h2-3,11-15H,4-10H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine?
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 220.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 124527653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).