N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine

C14H25N — CID 115685619

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCC1CC2C=CC1C2
InChIInChI=1S/C14H25N/c1-4-7-14(2,3)15-10-13-9-11-5-6-12(13)8-11/h5-6,11-13,15H,4,7-10H2,1-3H3
InChIKeyBNLPLGGRDKLTHZ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.37
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine (PubChem CID 115685619) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine
PubChem CID115685619
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCC1CC2C=CC1C2
InChIInChI=1S/C14H25N/c1-4-7-14(2,3)15-10-13-9-11-5-6-12(13)8-11/h5-6,11-13,15H,4,7-10H2,1-3H3
InChIKeyBNLPLGGRDKLTHZ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine
CID 98119287
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
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
CID 22229003
CID 22229003
(3S)-3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-4-methoxy-3-methylbutan-1-ol
CID 98220567
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
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
CID 115685647
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine (CID 115685619) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine is CCCC(C)(C)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine?
The InChIKey is BNLPLGGRDKLTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-7-14(2,3)15-10-13-9-11-5-6-12(13)8-11/h5-6,11-13,15H,4,7-10H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine is sourced from PubChem (CID 115685619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).