1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine

C14H29NO — CID 62108726

IUPAC1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCCCOC1(CNC)CCC(CC)CC1
InChIInChI=1S/C14H29NO/c1-4-6-11-16-14(12-15-3)9-7-13(5-2)8-10-14/h13,15H,4-12H2,1-3H3
InChIKeyPPGSFIUCDPSBGX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine

1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 62108726) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID62108726
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCCCOC1(CNC)CCC(CC)CC1
InChIInChI=1S/C14H29NO/c1-4-6-11-16-14(12-15-3)9-7-13(5-2)8-10-14/h13,15H,4-12H2,1-3H3
InChIKeyPPGSFIUCDPSBGX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 55192680
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
1-(4-ethyl-1-methoxycyclohexyl)-N-methylmethanamine
CID 62108178
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
1-(bromomethyl)-4-ethyl-1-heptoxycyclohexane
CID 63475655
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
CID 55036627
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
CID 106449156
N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 66226002

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine (CID 62108726) is 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine is CCCCOC1(CNC)CCC(CC)CC1.
What is the InChIKey of 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is PPGSFIUCDPSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-11-16-14(12-15-3)9-7-13(5-2)8-10-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine?
1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 62108726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).