(1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C13H23N3O — CID 99776706

IUPAC(1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc([C@@H](NCC2CCCC2)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)12(13-15-10(3)16-17-13)14-8-11-6-4-5-7-11/h9,11-12,14H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyZKUGMUKCAGDWJS-LBPRGKRZSA-N
MW237.35 g/mol
LogP2.85
Rot. Bonds5

About (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

(1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 99776706) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID99776706
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc([C@@H](NCC2CCCC2)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)12(13-15-10(3)16-17-13)14-8-11-6-4-5-7-11/h9,11-12,14H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyZKUGMUKCAGDWJS-LBPRGKRZSA-N
XLogP2.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 99776706) is (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is Cc1noc([C@@H](NCC2CCCC2)C(C)C)n1.
What is the InChIKey of (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is ZKUGMUKCAGDWJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12(13-15-10(3)16-17-13)14-8-11-6-4-5-7-11/h9,11-12,14H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclopentylmethyl)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 99776706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).