N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine

C14H29NO2 — CID 103179062

IUPACN-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOCCCOCCNC1CC(C)CC(C)C1
InChIInChI=1S/C14H29NO2/c1-12-9-13(2)11-14(10-12)15-5-8-17-7-4-6-16-3/h12-15H,4-11H2,1-3H3
InChIKeyHALHCEFRVHBVRS-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds8

About N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine

N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 103179062) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID103179062
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOCCCOCCNC1CC(C)CC(C)C1
InChIInChI=1S/C14H29NO2/c1-12-9-13(2)11-14(10-12)15-5-8-17-7-4-6-16-3/h12-15H,4-11H2,1-3H3
InChIKeyHALHCEFRVHBVRS-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
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-[3-(2-methoxyethoxy)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64724806
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 103179364
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
CID 103179043

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine (CID 103179062) is N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine is COCCCOCCNC1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is HALHCEFRVHBVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12-9-13(2)11-14(10-12)15-5-8-17-7-4-6-16-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine?
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 8 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]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103179062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).