ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine

C13H29N — CID 145095472

IUPACethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
SMILESCC.CCNCC[C@H]1CCCC(C)C1
InChIInChI=1S/C11H23N.C2H6/c1-3-12-8-7-11-6-4-5-10(2)9-11;1-2/h10-12H,3-9H2,1-2H3;1-2H3/t10?,11-;/m1./s1
InChIKeyWMNMVIUFPCPXPH-PSDUUTOMSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds4

About ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine

ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine (PubChem CID 145095472) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
PubChem CID145095472
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
SMILESCC.CCNCC[C@H]1CCCC(C)C1
InChIInChI=1S/C11H23N.C2H6/c1-3-12-8-7-11-6-4-5-10(2)9-11;1-2/h10-12H,3-9H2,1-2H3;1-2H3/t10?,11-;/m1./s1
InChIKeyWMNMVIUFPCPXPH-PSDUUTOMSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899966
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
N-[2-(ethylamino)ethyl]-2-(3-methylcyclohexyl)acetamide
CID 119507538
2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine
CID 138751667
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
CID 103179043
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1-methyl-3-octadecylcyclohexane
CID 175465709

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine?
The IUPAC name of ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine (CID 145095472) is ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine?
The canonical SMILES for ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine is CC.CCNCC[C@H]1CCCC(C)C1.
What is the InChIKey of ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine?
The InChIKey is WMNMVIUFPCPXPH-PSDUUTOMSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-3-12-8-7-11-6-4-5-10(2)9-11;1-2/h10-12H,3-9H2,1-2H3;1-2H3/t10?,11-;/m1./s1.
What are the key properties of ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine?
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine is sourced from PubChem (CID 145095472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).