N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine

C18H28N2 — CID 62553647

IUPACN-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)CCNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-3-14-4-10-17(11-5-14)20(2)13-12-19-18(15-6-7-15)16-8-9-16/h4-5,10-11,15-16,18-19H,3,6-9,12-13H2,1-2H3
InChIKeyNHLACXCEWLPNOE-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds8

About N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 62553647) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID62553647
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccc(N(C)CCNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-3-14-4-10-17(11-5-14)20(2)13-12-19-18(15-6-7-15)16-8-9-16/h4-5,10-11,15-16,18-19H,3,6-9,12-13H2,1-2H3
InChIKeyNHLACXCEWLPNOE-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.46
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

N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63502730
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 62556064
N'-(4-ethylphenyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62553806
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560654
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 113448192
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63725313
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62435116

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine (CID 62553647) is N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine is CCc1ccc(N(C)CCNC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is NHLACXCEWLPNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-14-4-10-17(11-5-14)20(2)13-12-19-18(15-6-7-15)16-8-9-16/h4-5,10-11,15-16,18-19H,3,6-9,12-13H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62553647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).