N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine

C15H31NO2 — CID 103179043

IUPACN-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
SMILESCOCCCOCCNCCC1CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-14-5-3-6-15(13-14)7-8-16-9-12-18-11-4-10-17-2/h14-16H,3-13H2,1-2H3
InChIKeyUIDBCBIBBUZEKV-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.85
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine

N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine (PubChem CID 103179043) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
PubChem CID103179043
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
SMILESCOCCCOCCNCCC1CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-14-5-3-6-15(13-14)7-8-16-9-12-18-11-4-10-17-2/h14-16H,3-13H2,1-2H3
InChIKeyUIDBCBIBBUZEKV-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
CID 106206340
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
2-[4-[(1R,3R)-3-methylcyclohexyl]butylamino]ethanethiol
CID 99867871
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)oxybutan-1-amine
CID 62597111
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
CID 106709352
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899966

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine (CID 103179043) is N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine is COCCCOCCNCCC1CCCC(C)C1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine?
The InChIKey is UIDBCBIBBUZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14-5-3-6-15(13-14)7-8-16-9-12-18-11-4-10-17-2/h14-16H,3-13H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine?
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 103179043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).