(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine

C14H25N — CID 59084829

IUPAC(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)[C@H](C)CNCC1CC2C=CC1C2
InChIInChI=1S/C14H25N/c1-10(2)11(3)8-15-9-14-7-12-4-5-13(14)6-12/h4-5,10-15H,6-9H2,1-3H3/t11-,12?,13?,14?/m1/s1
InChIKeyAEVNMMFFLNKUES-NTXGFPLRSA-N
MW207.36 g/mol
LogP3.08
Rot. Bonds5

About (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine

(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine (PubChem CID 59084829) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine
PubChem CID59084829
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)[C@H](C)CNCC1CC2C=CC1C2
InChIInChI=1S/C14H25N/c1-10(2)11(3)8-15-9-14-7-12-4-5-13(14)6-12/h4-5,10-15H,6-9H2,1-3H3/t11-,12?,13?,14?/m1/s1
InChIKeyAEVNMMFFLNKUES-NTXGFPLRSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine (CID 59084829) is (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine is CC(C)[C@H](C)CNCC1CC2C=CC1C2.
What is the InChIKey of (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is AEVNMMFFLNKUES-NTXGFPLRSA-N. The full InChI is InChI=1S/C14H25N/c1-10(2)11(3)8-15-9-14-7-12-4-5-13(14)6-12/h4-5,10-15H,6-9H2,1-3H3/t11-,12?,13?,14?/m1/s1.
What are the key properties of (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine?
(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 59084829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).