[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine

C14H29NO2 — CID 103032500

IUPAC[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine
SMILESCOC(C)(C)CCOC1(CN)CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-12-5-7-14(11-15,8-6-12)17-10-9-13(2,3)16-4/h12H,5-11,15H2,1-4H3
InChIKeySBKXKISHPOSVQH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds6

About [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine

[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine (PubChem CID 103032500) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine
PubChem CID103032500
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine
SMILESCOC(C)(C)CCOC1(CN)CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-12-5-7-14(11-15,8-6-12)17-10-9-13(2,3)16-4/h12H,5-11,15H2,1-4H3
InChIKeySBKXKISHPOSVQH-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine
CID 106667112
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
CID 65052054
[4-methyl-1-(4,4,4-trifluorobutoxy)cyclohexyl]methanamine
CID 115512975
(3-methoxy-3-methylbutyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 106666096
[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
CID 65430450
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604
[4-tert-butyl-1-(3-fluoropropoxy)cyclohexyl]methanamine
CID 81105509
[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
CID 115942105
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
methyl 3-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxypropanoate
CID 65052721
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine (CID 103032500) is [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine is COC(C)(C)CCOC1(CN)CCC(C)CC1.
What is the InChIKey of [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is SBKXKISHPOSVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12-5-7-14(11-15,8-6-12)17-10-9-13(2,3)16-4/h12H,5-11,15H2,1-4H3.
What are the key properties of [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine?
[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 103032500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).