N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine

C9H17N — CID 140933832

IUPACN-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(C)CNC12CC(C1)C2
InChIInChI=1S/C9H17N/c1-7(2)6-10-9-3-8(4-9)5-9/h7-8,10H,3-6H2,1-2H3
InChIKeyBBNPOXKYRJJOIJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds3

About N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine

N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 140933832) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
PubChem CID140933832
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
SMILESCC(C)CNC12CC(C1)C2
InChIInChI=1S/C9H17N/c1-7(2)6-10-9-3-8(4-9)5-9/h7-8,10H,3-6H2,1-2H3
InChIKeyBBNPOXKYRJJOIJ-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine (CID 140933832) is N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine is CC(C)CNC12CC(C1)C2.
What is the InChIKey of N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is BBNPOXKYRJJOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)6-10-9-3-8(4-9)5-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine?
N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 140933832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).