1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine

C16H33NO — CID 113382951

IUPAC1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CNC)(CC(C)OC)CC1
InChIInChI=1S/C16H33NO/c1-5-6-7-15-8-10-16(11-9-15,13-17-3)12-14(2)18-4/h14-15,17H,5-13H2,1-4H3
InChIKeyUPNUUSLTNIQIHK-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine (PubChem CID 113382951) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
PubChem CID113382951
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CNC)(CC(C)OC)CC1
InChIInChI=1S/C16H33NO/c1-5-6-7-15-8-10-16(11-9-15,13-17-3)12-14(2)18-4/h14-15,17H,5-13H2,1-4H3
InChIKeyUPNUUSLTNIQIHK-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
1-[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]-N-methylmethanamine
CID 63775395
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine (CID 113382951) is 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CNC)(CC(C)OC)CC1.
What is the InChIKey of 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is UPNUUSLTNIQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-6-7-15-8-10-16(11-9-15,13-17-3)12-14(2)18-4/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 113382951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).