4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline

C17H28N2 — CID 104501405

IUPAC4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
SMILESCC(CCN(C)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H28N2/c1-14(15-8-10-16(18)11-9-15)12-13-19(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,18H2,1-2H3
InChIKeyAECNOQYLXUJXCP-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.03
Rot. Bonds5

About 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline

4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline (PubChem CID 104501405) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
PubChem CID104501405
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
SMILESCC(CCN(C)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C17H28N2/c1-14(15-8-10-16(18)11-9-15)12-13-19(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,18H2,1-2H3
InChIKeyAECNOQYLXUJXCP-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.03
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-[2-[cyclopentyl(methyl)amino]ethyl]aniline
CID 43267271
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
4-[4-(cyclobutylamino)butan-2-yl]aniline
CID 104501639
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
CID 105346608
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
4-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-yl]aniline
CID 102726897
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline (CID 104501405) is 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline is CC(CCN(C)C1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline?
The InChIKey is AECNOQYLXUJXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(15-8-10-16(18)11-9-15)12-13-19(2)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13,18H2,1-2H3.
What are the key properties of 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline?
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline has a molecular weight of 260.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 104501405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).