trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine

C11H21N — CID 14814920

IUPACtrans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine
SMILESC[C@H]1CCC[C@@H]1NC1CCCC1
InChIInChI=1S/C11H21N/c1-9-5-4-8-11(9)12-10-6-2-3-7-10/h9-12H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyVTBMNPQDJOPIBV-ONGXEEELSA-N
MW167.30 g/mol
LogP2.71
Rot. Bonds2

About trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine

trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine (PubChem CID 14814920) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine
PubChem CID14814920
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nametrans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine
SMILESC[C@H]1CCC[C@@H]1NC1CCCC1
InChIInChI=1S/C11H21N/c1-9-5-4-8-11(9)12-10-6-2-3-7-10/h9-12H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyVTBMNPQDJOPIBV-ONGXEEELSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine (CID 14814920) is trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine is C[C@H]1CCC[C@@H]1NC1CCCC1.
What is the InChIKey of trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine?
The InChIKey is VTBMNPQDJOPIBV-ONGXEEELSA-N. The full InChI is InChI=1S/C11H21N/c1-9-5-4-8-11(9)12-10-6-2-3-7-10/h9-12H,2-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine?
trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-cyclopentyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 14814920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).