2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine

C19H34N2 — CID 63468182

IUPAC2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1ccc(C)cc1)C(C)N(C)CC(C)(C)C
InChIInChI=1S/C19H34N2/c1-8-13-20-18(17-11-9-15(2)10-12-17)16(3)21(7)14-19(4,5)6/h9-12,16,18,20H,8,13-14H2,1-7H3
InChIKeyLNKWKXOEGBTGAB-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.40
Rot. Bonds7

About 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine

2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine (PubChem CID 63468182) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
PubChem CID63468182
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1ccc(C)cc1)C(C)N(C)CC(C)(C)C
InChIInChI=1S/C19H34N2/c1-8-13-20-18(17-11-9-15(2)10-12-17)16(3)21(7)14-19(4,5)6/h9-12,16,18,20H,8,13-14H2,1-7H3
InChIKeyLNKWKXOEGBTGAB-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
CID 63866567
2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 63465492
1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
CID 64655218
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
3-[1-(4-methylphenyl)-1-(propylamino)propan-2-yl]sulfanylbutan-1-ol
CID 66136881
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-N,2-N-dimethyl-1-(4-methylphenyl)-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81056677
2-methyl-1-(4-methylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 43495094
N'-methyl-1-(4-methylphenyl)-N'-(2-propan-2-yloxyethyl)-N-propylethane-1,2-diamine
CID 81035781
2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
CID 64627775

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine (CID 63468182) is 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine is CCCNC(c1ccc(C)cc1)C(C)N(C)CC(C)(C)C.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine?
The InChIKey is LNKWKXOEGBTGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-13-20-18(17-11-9-15(2)10-12-17)16(3)21(7)14-19(4,5)6/h9-12,16,18,20H,8,13-14H2,1-7H3.
What are the key properties of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine?
2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 63468182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).