N-prop-2-enylbicyclo[2.2.1]heptan-2-amine

C10H17N — CID 21444290

IUPACN-prop-2-enylbicyclo[2.2.1]heptan-2-amine
SMILESC=CCNC1CC2CCC1C2
InChIInChI=1S/C10H17N/c1-2-5-11-10-7-8-3-4-9(10)6-8/h2,8-11H,1,3-7H2
InChIKeyCYMDNRVKCLZGPI-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.95
Rot. Bonds3

About N-prop-2-enylbicyclo[2.2.1]heptan-2-amine

N-prop-2-enylbicyclo[2.2.1]heptan-2-amine (PubChem CID 21444290) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-prop-2-enylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-prop-2-enylbicyclo[2.2.1]heptan-2-amine
PubChem CID21444290
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-prop-2-enylbicyclo[2.2.1]heptan-2-amine
SMILESC=CCNC1CC2CCC1C2
InChIInChI=1S/C10H17N/c1-2-5-11-10-7-8-3-4-9(10)6-8/h2,8-11H,1,3-7H2
InChIKeyCYMDNRVKCLZGPI-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
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-prop-2-enylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-prop-2-enylbicyclo[2.2.1]heptan-2-amine (CID 21444290) is N-prop-2-enylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-prop-2-enylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-prop-2-enylbicyclo[2.2.1]heptan-2-amine is C=CCNC1CC2CCC1C2.
What is the InChIKey of N-prop-2-enylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is CYMDNRVKCLZGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-5-11-10-7-8-3-4-9(10)6-8/h2,8-11H,1,3-7H2.
What are the key properties of N-prop-2-enylbicyclo[2.2.1]heptan-2-amine?
N-prop-2-enylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 151.25 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-prop-2-enylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 21444290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).