N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine

C16H26N2 — CID 43270354

IUPACN'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(C)cc1C)C1CC1
InChIInChI=1S/C16H26N2/c1-4-9-18(14-6-7-14)11-16(17)15-8-5-12(2)10-13(15)3/h5,8,10,14,16H,4,6-7,9,11,17H2,1-3H3
InChIKeyKJWJTJFMYSJDEB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.18
Rot. Bonds6

About N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine

N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 43270354) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
PubChem CID43270354
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(C)cc1C)C1CC1
InChIInChI=1S/C16H26N2/c1-4-9-18(14-6-7-14)11-16(17)15-8-5-12(2)10-13(15)3/h5,8,10,14,16H,4,6-7,9,11,17H2,1-3H3
InChIKeyKJWJTJFMYSJDEB-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine (CID 43270354) is N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine is CCCN(CC(N)c1ccc(C)cc1C)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is KJWJTJFMYSJDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-9-18(14-6-7-14)11-16(17)15-8-5-12(2)10-13(15)3/h5,8,10,14,16H,4,6-7,9,11,17H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine?
N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 43270354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).