N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine

C15H26N2 — CID 62618719

IUPACN',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C15H26N2/c1-5-11-16-15(13(2)12-17(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3
InChIKeyOZKYBZRAHJJKQP-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.92
Rot. Bonds7

About N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine

N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine (PubChem CID 62618719) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
PubChem CID62618719
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C15H26N2/c1-5-11-16-15(13(2)12-17(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3
InChIKeyOZKYBZRAHJJKQP-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62860142
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63467773
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591

Frequently Asked Questions

What is the IUPAC name of N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine?
The IUPAC name of N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine (CID 62618719) is N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine is CCCNC(c1ccccc1)C(C)CN(C)C.
What is the InChIKey of N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine?
The InChIKey is OZKYBZRAHJJKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-11-16-15(13(2)12-17(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3.
What are the key properties of N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine?
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62618719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).