1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine

C18H32N2 — CID 63464856

IUPAC1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
SMILESCCCNC(CN(CCC)C(C)C)c1ccccc1C
InChIInChI=1S/C18H32N2/c1-6-12-19-18(14-20(13-7-2)15(3)4)17-11-9-8-10-16(17)5/h8-11,15,18-19H,6-7,12-14H2,1-5H3
InChIKeyKRDJDSLIMGHBEB-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.16
Rot. Bonds9

About 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine

1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine (PubChem CID 63464856) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
PubChem CID63464856
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
SMILESCCCNC(CN(CCC)C(C)C)c1ccccc1C
InChIInChI=1S/C18H32N2/c1-6-12-19-18(14-20(13-7-2)15(3)4)17-11-9-8-10-16(17)5/h8-11,15,18-19H,6-7,12-14H2,1-5H3
InChIKeyKRDJDSLIMGHBEB-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
N-[2-(3-methylbutylsulfonyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107760339
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79088664
N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469072
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 107398055
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64651076
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine?
The IUPAC name of 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine (CID 63464856) is 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine is CCCNC(CN(CCC)C(C)C)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine?
The InChIKey is KRDJDSLIMGHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-12-19-18(14-20(13-7-2)15(3)4)17-11-9-8-10-16(17)5/h8-11,15,18-19H,6-7,12-14H2,1-5H3.
What are the key properties of 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine?
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 63464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).