N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine

C17H30N2 — CID 116544972

IUPACN',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cccc(CCC)c1
InChIInChI=1S/C17H30N2/c1-5-8-15-9-7-10-16(14-15)17(18-12-6-2)11-13-19(3)4/h7,9-10,14,17-18H,5-6,8,11-13H2,1-4H3
InChIKeyYTLBNTSYOCEAIZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.63
Rot. Bonds9

About N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine

N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine (PubChem CID 116544972) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
PubChem CID116544972
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cccc(CCC)c1
InChIInChI=1S/C17H30N2/c1-5-8-15-9-7-10-16(14-15)17(18-12-6-2)11-13-19(3)4/h7,9-10,14,17-18H,5-6,8,11-13H2,1-4H3
InChIKeyYTLBNTSYOCEAIZ-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346411
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N,N-dimethyl-3-[1-(propylamino)butyl]aniline
CID 105080148
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
CID 105050261

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine (CID 116544972) is N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine is CCCNC(CCN(C)C)c1cccc(CCC)c1.
What is the InChIKey of N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine?
The InChIKey is YTLBNTSYOCEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-8-15-9-7-10-16(14-15)17(18-12-6-2)11-13-19(3)4/h7,9-10,14,17-18H,5-6,8,11-13H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine?
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116544972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).