2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine

C16H29N3 — CID 62568173

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CCN(C)C)C(C)CNc1ccccc1
InChIInChI=1S/C16H29N3/c1-5-11-19(13-12-18(3)4)15(2)14-17-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3
InChIKeyIEHUOJRZHIBUDM-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.76
Rot. Bonds9

About 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine (PubChem CID 62568173) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
PubChem CID62568173
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(CCN(C)C)C(C)CNc1ccccc1
InChIInChI=1S/C16H29N3/c1-5-11-19(13-12-18(3)4)15(2)14-17-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3
InChIKeyIEHUOJRZHIBUDM-UHFFFAOYSA-N
XLogP2.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
CID 62569514
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
CID 23460299
2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 81068786
1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
CID 67748631
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
CID 82978176
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568171
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 62570612
2-phenyl-1,1-dipropylhydrazine
CID 14228134
N-(2-bromopropyl)aniline
CID 13183607

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine (CID 62568173) is 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine is CCCN(CCN(C)C)C(C)CNc1ccccc1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine?
The InChIKey is IEHUOJRZHIBUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-11-19(13-12-18(3)4)15(2)14-17-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 62568173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).