(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine

C9H17N — CID 138484841

IUPAC(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
SMILESCC(C)NC12CC(C1)[C@@H]2C
InChIInChI=1S/C9H17N/c1-6(2)10-9-4-8(5-9)7(9)3/h6-8,10H,4-5H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyJPHQEXAGSZKNCI-UEJVZZJDSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds2

About (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine

(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine (PubChem CID 138484841) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
PubChem CID138484841
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
SMILESCC(C)NC12CC(C1)[C@@H]2C
InChIInChI=1S/C9H17N/c1-6(2)10-9-4-8(5-9)7(9)3/h6-8,10H,4-5H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyJPHQEXAGSZKNCI-UEJVZZJDSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
The IUPAC name of (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine (CID 138484841) is (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine is CC(C)NC12CC(C1)[C@@H]2C.
What is the InChIKey of (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
The InChIKey is JPHQEXAGSZKNCI-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)10-9-4-8(5-9)7(9)3/h6-8,10H,4-5H2,1-3H3/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
(2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 138484841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).