4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline

C17H28N2 — CID 63786709

IUPAC4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
SMILESCc1cc(N(C)C2CCC(C)CC2)ccc1CCN
InChIInChI=1S/C17H28N2/c1-13-4-7-16(8-5-13)19(3)17-9-6-15(10-11-18)14(2)12-17/h6,9,12-13,16H,4-5,7-8,10-11,18H2,1-3H3
InChIKeyHHXYCHIFGCVSGA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds4

About 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline

4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline (PubChem CID 63786709) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
PubChem CID63786709
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
SMILESCc1cc(N(C)C2CCC(C)CC2)ccc1CCN
InChIInChI=1S/C17H28N2/c1-13-4-7-16(8-5-13)19(3)17-9-6-15(10-11-18)14(2)12-17/h6,9,12-13,16H,4-5,7-8,10-11,18H2,1-3H3
InChIKeyHHXYCHIFGCVSGA-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
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

4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
CID 63783720
4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63815146
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 63815618
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
N-methyl-N-[3-methyl-4-(propylaminomethyl)phenyl]oxan-4-amine
CID 62136388
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
CID 63785848
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63784792
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline (CID 63786709) is 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline is Cc1cc(N(C)C2CCC(C)CC2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is HHXYCHIFGCVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-4-7-16(8-5-13)19(3)17-9-6-15(10-11-18)14(2)12-17/h6,9,12-13,16H,4-5,7-8,10-11,18H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 63786709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).