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

C18H32N2 — CID 63469072

IUPACN'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-12-19-18(17-10-8-7-9-11-17)14-20(16(4)5)13-15(2)3/h7-11,15-16,18-19H,6,12-14H2,1-5H3
InChIKeyGLGNRIJMIXUHHE-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.09
Rot. Bonds9

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

N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 63469072) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID63469072
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-12-19-18(17-10-8-7-9-11-17)14-20(16(4)5)13-15(2)3/h7-11,15-16,18-19H,6,12-14H2,1-5H3
InChIKeyGLGNRIJMIXUHHE-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469252
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-ethyl-1-(4-ethylphenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63470331
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine (CID 63469072) is N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine is CCCNC(CN(CC(C)C)C(C)C)c1ccccc1.
What is the InChIKey of N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is GLGNRIJMIXUHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-12-19-18(17-10-8-7-9-11-17)14-20(16(4)5)13-15(2)3/h7-11,15-16,18-19H,6,12-14H2,1-5H3.
What are the key properties of N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine?
N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63469072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).