4-(4-butylcyclohexyl)-N-methylaniline

C17H27N — CID 21348956

IUPAC4-(4-butylcyclohexyl)-N-methylaniline
SMILESCCCCC1CCC(c2ccc(NC)cc2)CC1
InChIInChI=1S/C17H27N/c1-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18-2)13-11-16/h10-15,18H,3-9H2,1-2H3
InChIKeyCNEVFSPQGVFNKY-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.19
Rot. Bonds5

About 4-(4-butylcyclohexyl)-N-methylaniline

4-(4-butylcyclohexyl)-N-methylaniline (PubChem CID 21348956) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-N-methylaniline
PubChem CID21348956
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-(4-butylcyclohexyl)-N-methylaniline
SMILESCCCCC1CCC(c2ccc(NC)cc2)CC1
InChIInChI=1S/C17H27N/c1-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18-2)13-11-16/h10-15,18H,3-9H2,1-2H3
InChIKeyCNEVFSPQGVFNKY-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-(4-pentylcyclohexyl)aniline;prop-2-enal
CID 142282274
N-methyl-4-(4-pentylcyclohexyl)aniline;2-methylprop-2-enal
CID 142281511
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
CID 145235011
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-N-methylaniline?
The IUPAC name of 4-(4-butylcyclohexyl)-N-methylaniline (CID 21348956) is 4-(4-butylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 4-(4-butylcyclohexyl)-N-methylaniline?
The canonical SMILES for 4-(4-butylcyclohexyl)-N-methylaniline is CCCCC1CCC(c2ccc(NC)cc2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-N-methylaniline?
The InChIKey is CNEVFSPQGVFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18-2)13-11-16/h10-15,18H,3-9H2,1-2H3.
What are the key properties of 4-(4-butylcyclohexyl)-N-methylaniline?
4-(4-butylcyclohexyl)-N-methylaniline has a molecular weight of 245.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 21348956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).