4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline

C16H26N2 — CID 55004836

IUPAC4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC(N)c1ccc(N(C)C2CCCCC2C)cc1
InChIInChI=1S/C16H26N2/c1-12-6-4-5-7-16(12)18(3)15-10-8-14(9-11-15)13(2)17/h8-13,16H,4-7,17H2,1-3H3
InChIKeyGPKFQMLXRQGKGS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds3

About 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline

4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline (PubChem CID 55004836) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
PubChem CID55004836
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC(N)c1ccc(N(C)C2CCCCC2C)cc1
InChIInChI=1S/C16H26N2/c1-12-6-4-5-7-16(12)18(3)15-10-8-14(9-11-15)13(2)17/h8-13,16H,4-7,17H2,1-3H3
InChIKeyGPKFQMLXRQGKGS-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Desipramine
CID 2995
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
Trimipramine
CID 5584
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Desipramine Hydrochloride
CID 65327
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Solvent Yellow 34
CID 10298
C.I. Basic Yellow 2
CID 17170
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline (CID 55004836) is 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline is CC(N)c1ccc(N(C)C2CCCCC2C)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is GPKFQMLXRQGKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-4-5-7-16(12)18(3)15-10-8-14(9-11-15)13(2)17/h8-13,16H,4-7,17H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline?
4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 55004836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).