(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine

C10H19N — CID 58897206

IUPAC(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine
SMILESCN[C@@H]1C=C[C@@](C)(C(C)C)C1
InChIInChI=1S/C10H19N/c1-8(2)10(3)6-5-9(7-10)11-4/h5-6,8-9,11H,7H2,1-4H3/t9-,10-/m1/s1
InChIKeyUJYOGTGHUJUWBO-NXEZZACHSA-N
MW153.27 g/mol
LogP2.20
Rot. Bonds2

About (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine

(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine (PubChem CID 58897206) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine
PubChem CID58897206
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine
SMILESCN[C@@H]1C=C[C@@](C)(C(C)C)C1
InChIInChI=1S/C10H19N/c1-8(2)10(3)6-5-9(7-10)11-4/h5-6,8-9,11H,7H2,1-4H3/t9-,10-/m1/s1
InChIKeyUJYOGTGHUJUWBO-NXEZZACHSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-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,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine?
The IUPAC name of (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine (CID 58897206) is (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine.
What is the SMILES notation for (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine?
The canonical SMILES for (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine is CN[C@@H]1C=C[C@@](C)(C(C)C)C1.
What is the InChIKey of (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine?
The InChIKey is UJYOGTGHUJUWBO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10(3)6-5-9(7-10)11-4/h5-6,8-9,11H,7H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine?
(1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-N,4-dimethyl-4-propan-2-ylcyclopent-2-en-1-amine is sourced from PubChem (CID 58897206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).