(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine

C12H22N2 — CID 124670745

IUPAC(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@H](NC[C@@H]2CC=CCC2)C1
InChIInChI=1S/C12H22N2/c1-14-8-7-12(10-14)13-9-11-5-3-2-4-6-11/h2-3,11-13H,4-10H2,1H3/t11-,12-/m1/s1
InChIKeyJWGFPUVDOJVBDM-VXGBXAGGSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds3

About (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine

(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine (PubChem CID 124670745) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine
PubChem CID124670745
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CC[C@@H](NC[C@@H]2CC=CCC2)C1
InChIInChI=1S/C12H22N2/c1-14-8-7-12(10-14)13-9-11-5-3-2-4-6-11/h2-3,11-13H,4-10H2,1H3/t11-,12-/m1/s1
InChIKeyJWGFPUVDOJVBDM-VXGBXAGGSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-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

1-[3-(cyclohex-3-en-1-ylmethylamino)pyrrolidin-1-yl]ethanone
CID 115757149
N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
CID 65073738
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
CID 63478638
N-(cyclohex-3-en-1-ylmethyl)oxetan-3-amine
CID 63624037
1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 4846949
N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43201367
3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343770
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine (CID 124670745) is (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine is CN1CC[C@@H](NC[C@@H]2CC=CCC2)C1.
What is the InChIKey of (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is JWGFPUVDOJVBDM-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22N2/c1-14-8-7-12(10-14)13-9-11-5-3-2-4-6-11/h2-3,11-13H,4-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine?
(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 124670745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).