1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine

C14H29NO — CID 103984471

IUPAC1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CNC)(COC)CC1
InChIInChI=1S/C14H29NO/c1-4-5-6-13-7-9-14(10-8-13,11-15-2)12-16-3/h13,15H,4-12H2,1-3H3
InChIKeyBBVOWNOPQBDYJI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 103984471) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
PubChem CID103984471
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CNC)(COC)CC1
InChIInChI=1S/C14H29NO/c1-4-5-6-13-7-9-14(10-8-13,11-15-2)12-16-3/h13,15H,4-12H2,1-3H3
InChIKeyBBVOWNOPQBDYJI-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984479
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine (CID 103984471) is 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CNC)(COC)CC1.
What is the InChIKey of 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is BBVOWNOPQBDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-13-7-9-14(10-8-13,11-15-2)12-16-3/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 103984471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).