4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline

C16H26N2 — CID 63783720

IUPAC4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
SMILESCc1cc(N(C)C2CCCCC2)ccc1CCN
InChIInChI=1S/C16H26N2/c1-13-12-16(9-8-14(13)10-11-17)18(2)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,17H2,1-2H3
InChIKeyDHBJAPZRDBILGG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.27
Rot. Bonds4

About 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline

4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline (PubChem CID 63783720) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
PubChem CID63783720
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
SMILESCc1cc(N(C)C2CCCCC2)ccc1CCN
InChIInChI=1S/C16H26N2/c1-13-12-16(9-8-14(13)10-11-17)18(2)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,17H2,1-2H3
InChIKeyDHBJAPZRDBILGG-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63786709
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
4-[cycloheptyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81277092
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,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63784792
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963
4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63815146
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
2-[2-amino-5-[cycloheptyl(methyl)amino]phenyl]acetonitrile
CID 102623938
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline (CID 63783720) is 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline is Cc1cc(N(C)C2CCCCC2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline?
The InChIKey is DHBJAPZRDBILGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-12-16(9-8-14(13)10-11-17)18(2)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,17H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline?
4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.27, 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-cyclohexyl-N,3-dimethylaniline is sourced from PubChem (CID 63783720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).