N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine

C18H33N3 — CID 63699668

IUPACN'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)(C)CN(C)CCCN(C)C
InChIInChI=1S/C18H33N3/c1-18(2,15-21(6)14-10-13-20(4)5)17(19-3)16-11-8-7-9-12-16/h7-9,11-12,17,19H,10,13-15H2,1-6H3
InChIKeyKFBLTZMZRUNQHO-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.86
Rot. Bonds9

About N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine (PubChem CID 63699668) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
PubChem CID63699668
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)(C)CN(C)CCCN(C)C
InChIInChI=1S/C18H33N3/c1-18(2,15-21(6)14-10-13-20(4)5)17(19-3)16-11-8-7-9-12-16/h7-9,11-12,17,19H,10,13-15H2,1-6H3
InChIKeyKFBLTZMZRUNQHO-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
CID 107204531
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
CID 63193901
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63195807
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 63195623
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468
4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66453701
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine (CID 63699668) is N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine is CNC(c1ccccc1)C(C)(C)CN(C)CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine?
The InChIKey is KFBLTZMZRUNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-18(2,15-21(6)14-10-13-20(4)5)17(19-3)16-11-8-7-9-12-16/h7-9,11-12,17,19H,10,13-15H2,1-6H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63699668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).