N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine

C11H21N — CID 143687545

IUPACN-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNC[C@H]1CC=C[C@@H](C)C1
InChIInChI=1S/C11H21N/c1-3-7-12-9-11-6-4-5-10(2)8-11/h4-5,10-12H,3,6-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyXTOBQOAQXHQCCL-MNOVXSKESA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds4

About N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine

N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine (PubChem CID 143687545) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine
PubChem CID143687545
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNC[C@H]1CC=C[C@@H](C)C1
InChIInChI=1S/C11H21N/c1-3-7-12-9-11-6-4-5-10(2)8-11/h4-5,10-12H,3,6-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyXTOBQOAQXHQCCL-MNOVXSKESA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]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

Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
CID 65014740
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-[(1-methylazetidin-3-yl)methyl]propan-1-amine
CID 131142144
(5R)-3,5-dimethylcyclohexene
CID 142981274
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
5-ethyl-3,6,7-trimethylcyclooctene
CID 123325813
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine?
The IUPAC name of N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine (CID 143687545) is N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine is CCCNC[C@H]1CC=C[C@@H](C)C1.
What is the InChIKey of N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine?
The InChIKey is XTOBQOAQXHQCCL-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21N/c1-3-7-12-9-11-6-4-5-10(2)8-11/h4-5,10-12H,3,6-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine?
N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S)-5-methylcyclohex-3-en-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 143687545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).