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

C11H19N — CID 43225117

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine
SMILESCC(C)NCC1CC2C=CC1C2
InChIInChI=1S/C11H19N/c1-8(2)12-7-11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3
InChIKeyIXTJHTQVQAKARN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine (PubChem CID 43225117) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine
PubChem CID43225117
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine
SMILESCC(C)NCC1CC2C=CC1C2
InChIInChI=1S/C11H19N/c1-8(2)12-7-11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3
InChIKeyIXTJHTQVQAKARN-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
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 N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine (CID 43225117) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine is CC(C)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine?
The InChIKey is IXTJHTQVQAKARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)12-7-11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 3 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)propan-2-amine is sourced from PubChem (CID 43225117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).