N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine

C18H30N2 — CID 63955360

IUPACN'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNC(CN(CC)CC1CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H30N2/c1-5-19-18(13-20(6-2)12-16-8-9-16)17-10-7-14(3)15(4)11-17/h7,10-11,16,18-19H,5-6,8-9,12-13H2,1-4H3
InChIKeyWRYZHYWQITUNFS-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.69
Rot. Bonds8

About N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine

N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine (PubChem CID 63955360) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
PubChem CID63955360
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNC(CN(CC)CC1CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H30N2/c1-5-19-18(13-20(6-2)12-16-8-9-16)17-10-7-14(3)15(4)11-17/h7,10-11,16,18-19H,5-6,8-9,12-13H2,1-4H3
InChIKeyWRYZHYWQITUNFS-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 63468837
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695773
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
1-(3,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 105140351
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 107398055
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63466998
1-N-(cyclopropylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 63954939

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine (CID 63955360) is N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine is CCNC(CN(CC)CC1CC1)c1ccc(C)c(C)c1.
What is the InChIKey of N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is WRYZHYWQITUNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-19-18(13-20(6-2)12-16-8-9-16)17-10-7-14(3)15(4)11-17/h7,10-11,16,18-19H,5-6,8-9,12-13H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 63955360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).