N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine

C19H32N2 — CID 63468506

IUPACN'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCc1ccc(C(CN(C)CC2CCCCC2)NC)cc1
InChIInChI=1S/C19H32N2/c1-4-16-10-12-18(13-11-16)19(20-2)15-21(3)14-17-8-6-5-7-9-17/h10-13,17,19-20H,4-9,14-15H2,1-3H3
InChIKeyDVXKZZKXLPKEES-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds7

About N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine

N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 63468506) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID63468506
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCc1ccc(C(CN(C)CC2CCCCC2)NC)cc1
InChIInChI=1S/C19H32N2/c1-4-16-10-12-18(13-11-16)19(20-2)15-21(3)14-17-8-6-5-7-9-17/h10-13,17,19-20H,4-9,14-15H2,1-3H3
InChIKeyDVXKZZKXLPKEES-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine (CID 63468506) is N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine is CCc1ccc(C(CN(C)CC2CCCCC2)NC)cc1.
What is the InChIKey of N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is DVXKZZKXLPKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-16-10-12-18(13-11-16)19(20-2)15-21(3)14-17-8-6-5-7-9-17/h10-13,17,19-20H,4-9,14-15H2,1-3H3.
What are the key properties of N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63468506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).