N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

C11H17N — CID 43756772

IUPACN-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCC1CC1
InChIInChI=1S/C11H17N/c1-2-9-6-11(10(9)3-1)12-7-8-4-5-8/h1,3,8-12H,2,4-7H2
InChIKeyHYGLKUSUIKHPLX-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.95
Rot. Bonds3

About N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43756772) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43756772
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCC1CC1
InChIInChI=1S/C11H17N/c1-2-9-6-11(10(9)3-1)12-7-8-4-5-8/h1,3,8-12H,2,4-7H2
InChIKeyHYGLKUSUIKHPLX-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.95
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-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43756772) is N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is HYGLKUSUIKHPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-9-6-11(10(9)3-1)12-7-8-4-5-8/h1,3,8-12H,2,4-7H2.
What are the key properties of N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 163.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43756772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).