2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine

C9H17N — CID 170276132

IUPAC2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine
SMILESCC12CC(C(C)(C)N)(C1)C2
InChIInChI=1S/C9H17N/c1-7(2,10)9-4-8(3,5-9)6-9/h4-6,10H2,1-3H3
InChIKeyDTHADRCGMNQIGU-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.91
Rot. Bonds1

About 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine

2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine (PubChem CID 170276132) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine
PubChem CID170276132
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine
SMILESCC12CC(C(C)(C)N)(C1)C2
InChIInChI=1S/C9H17N/c1-7(2,10)9-4-8(3,5-9)6-9/h4-6,10H2,1-3H3
InChIKeyDTHADRCGMNQIGU-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine?
The IUPAC name of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine (CID 170276132) is 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine.
What is the SMILES notation for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine?
The canonical SMILES for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine is CC12CC(C(C)(C)N)(C1)C2.
What is the InChIKey of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine?
The InChIKey is DTHADRCGMNQIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2,10)9-4-8(3,5-9)6-9/h4-6,10H2,1-3H3.
What are the key properties of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine?
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)propan-2-amine is sourced from PubChem (CID 170276132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).