(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine

C11H22N2 — CID 97358828

IUPAC(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
SMILESC=CCC[C@@H](C)N[C@H]1CCN(C)C1
InChIInChI=1S/C11H22N2/c1-4-5-6-10(2)12-11-7-8-13(3)9-11/h4,10-12H,1,5-9H2,2-3H3/t10-,11+/m1/s1
InChIKeyARLPOBJPMBJOMO-MNOVXSKESA-N
MW182.31 g/mol
LogP1.63
Rot. Bonds5

About (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine

(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine (PubChem CID 97358828) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
PubChem CID97358828
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
SMILESC=CCC[C@@H](C)N[C@H]1CCN(C)C1
InChIInChI=1S/C11H22N2/c1-4-5-6-10(2)12-11-7-8-13(3)9-11/h4,10-12H,1,5-9H2,2-3H3/t10-,11+/m1/s1
InChIKeyARLPOBJPMBJOMO-MNOVXSKESA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-hex-5-en-2-yl-1-methylpiperidin-4-amine
CID 75525498
N-hex-5-en-2-ylcyclopropanamine
CID 104581323
N-hex-5-en-2-yl-4-methylcyclohexan-1-amine
CID 104581515
N-hex-5-en-2-ylcyclopent-3-en-1-amine
CID 104582994
4-(hex-5-en-2-ylamino)cyclohexan-1-ol
CID 75525485
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
N-hex-5-en-2-yloxan-4-amine
CID 104581845
N-hex-5-en-2-yloxetan-3-amine
CID 104655767
3-[(1-methylpyrrolidin-3-yl)amino]butanenitrile
CID 61462253
(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
CID 97358805
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine (CID 97358828) is (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine is C=CCC[C@@H](C)N[C@H]1CCN(C)C1.
What is the InChIKey of (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine?
The InChIKey is ARLPOBJPMBJOMO-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-6-10(2)12-11-7-8-13(3)9-11/h4,10-12H,1,5-9H2,2-3H3/t10-,11+/m1/s1.
What are the key properties of (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine?
(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 97358828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).