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

C13H23N — CID 98119287

IUPACN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C13H23N/c1-4-13(2,3)14-9-12-8-10-5-6-11(12)7-10/h5-6,10-12,14H,4,7-9H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyAJDTXYJSVRVFMI-SDDRHHMPSA-N
MW193.33 g/mol
LogP2.98
Rot. Bonds4

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

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine (PubChem CID 98119287) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine
PubChem CID98119287
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C13H23N/c1-4-13(2,3)14-9-12-8-10-5-6-11(12)7-10/h5-6,10-12,14H,4,7-9H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyAJDTXYJSVRVFMI-SDDRHHMPSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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]-2-methylbutan-2-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)-2-methylpentan-2-amine
CID 115685619
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
CID 43771189
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
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
(3S)-3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-4-methoxy-3-methylbutan-1-ol
CID 98220567
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
CID 115685647
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178881
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine (CID 98119287) is N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NC[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine?
The InChIKey is AJDTXYJSVRVFMI-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H23N/c1-4-13(2,3)14-9-12-8-10-5-6-11(12)7-10/h5-6,10-12,14H,4,7-9H2,1-3H3/t10-,11-,12+/m0/s1.
What are the key properties of N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine?
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 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]-2-methylbutan-2-amine is sourced from PubChem (CID 98119287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).