4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline

C16H26N2 — CID 61443836

IUPAC4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
SMILESCC(c1ccc(N)cc1)N(C)CC1CCCCC1
InChIInChI=1S/C16H26N2/c1-13(15-8-10-16(17)11-9-15)18(2)12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12,17H2,1-2H3
InChIKeyLJIXSGVHKUNIJW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.84
Rot. Bonds4

About 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline

4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline (PubChem CID 61443836) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
PubChem CID61443836
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
SMILESCC(c1ccc(N)cc1)N(C)CC1CCCCC1
InChIInChI=1S/C16H26N2/c1-13(15-8-10-16(17)11-9-15)18(2)12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12,17H2,1-2H3
InChIKeyLJIXSGVHKUNIJW-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
4-[1-(cyclohexylmethoxy)ethyl]aniline
CID 57106208
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine
CID 139681620
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
CID 119929715
N-(cyclohexylmethyl)-1-iodo-N-methylethanamine
CID 154988433
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217

Frequently Asked Questions

What is the IUPAC name of 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline?
The IUPAC name of 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline (CID 61443836) is 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline?
The canonical SMILES for 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline is CC(c1ccc(N)cc1)N(C)CC1CCCCC1.
What is the InChIKey of 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline?
The InChIKey is LJIXSGVHKUNIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(15-8-10-16(17)11-9-15)18(2)12-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12,17H2,1-2H3.
What are the key properties of 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline?
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline is sourced from PubChem (CID 61443836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).