N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine

C13H23N — CID 130671292

IUPACN-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)C1(NC2CC3CCC2C3)CC1
InChIInChI=1S/C13H23N/c1-9(2)13(5-6-13)14-12-8-10-3-4-11(12)7-10/h9-12,14H,3-8H2,1-2H3
InChIKeyPVUWRVIADKLRCT-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds3

About N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine

N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 130671292) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID130671292
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)C1(NC2CC3CCC2C3)CC1
InChIInChI=1S/C13H23N/c1-9(2)13(5-6-13)14-12-8-10-3-4-11(12)7-10/h9-12,14H,3-8H2,1-2H3
InChIKeyPVUWRVIADKLRCT-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine (CID 130671292) is N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine is CC(C)C1(NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PVUWRVIADKLRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)13(5-6-13)14-12-8-10-3-4-11(12)7-10/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine?
N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 130671292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).