N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine

C19H34N2 — CID 65487674

IUPACN,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)CCc1ccccc1
InChIInChI=1S/C19H34N2/c1-6-13-19(4,15-20-17(2)3)16-21(5)14-12-18-10-8-7-9-11-18/h7-11,17,20H,6,12-16H2,1-5H3
InChIKeyJDSHDMKPEQWALX-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.97
Rot. Bonds10

About N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine

N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 65487674) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID65487674
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)CCc1ccccc1
InChIInChI=1S/C19H34N2/c1-6-13-19(4,15-20-17(2)3)16-21(5)14-12-18-10-8-7-9-11-18/h7-11,17,20H,6,12-16H2,1-5H3
InChIKeyJDSHDMKPEQWALX-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255944
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
CID 65487454
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62258803
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63483431

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 65487674) is N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)C)CN(C)CCc1ccccc1.
What is the InChIKey of N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is JDSHDMKPEQWALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-13-19(4,15-20-17(2)3)16-21(5)14-12-18-10-8-7-9-11-18/h7-11,17,20H,6,12-16H2,1-5H3.
What are the key properties of N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65487674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).