N',N'-dimethyl-1-phenylpropane-1,3-diamine

C11H18N2 — CID 25248080

IUPACN',N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1
InChIInChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
InChIKeyHSZKVKCMQAORSG-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.64
Rot. Bonds4

About N',N'-dimethyl-1-phenylpropane-1,3-diamine

N',N'-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 25248080) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID25248080
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN',N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1
InChIInChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3
InChIKeyHSZKVKCMQAORSG-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 55090461
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-1-phenylpropane-1,3-diamine (CID 25248080) is N',N'-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenylpropane-1,3-diamine is CN(C)CCC(N)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is HSZKVKCMQAORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-phenylpropane-1,3-diamine?
N',N'-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 25248080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).