1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine

C19H34N2 — CID 63469252

IUPAC1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC(C)C)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-7-12-20-19(18-10-8-17(6)9-11-18)14-21(16(4)5)13-15(2)3/h8-11,15-16,19-20H,7,12-14H2,1-6H3
InChIKeyRPQHLLCSEBIINB-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.40
Rot. Bonds9

About 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine

1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 63469252) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID63469252
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC(C)C)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-7-12-20-19(18-10-8-17(6)9-11-18)14-21(16(4)5)13-15(2)3/h8-11,15-16,19-20H,7,12-14H2,1-6H3
InChIKeyRPQHLLCSEBIINB-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469072
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63470309
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
CID 63466904
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine (CID 63469252) is 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine is CCCNC(CN(CC(C)C)C(C)C)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is RPQHLLCSEBIINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-12-20-19(18-10-8-17(6)9-11-18)14-21(16(4)5)13-15(2)3/h8-11,15-16,19-20H,7,12-14H2,1-6H3.
What are the key properties of 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine?
1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63469252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).