N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

C17H30N2 — CID 115346850

IUPACN',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2/c1-7-9-18-17(8-10-19(5)6)16-12-14(3)13(2)11-15(16)4/h11-12,17-18H,7-10H2,1-6H3
InChIKeyWPEDHZDEEHPTSB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.60
Rot. Bonds7

About N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (PubChem CID 115346850) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
PubChem CID115346850
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2/c1-7-9-18-17(8-10-19(5)6)16-12-14(3)13(2)11-15(16)4/h11-12,17-18H,7-10H2,1-6H3
InChIKeyWPEDHZDEEHPTSB-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (CID 115346850) is N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is CCCNC(CCN(C)C)c1cc(C)c(C)cc1C.
What is the InChIKey of N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The InChIKey is WPEDHZDEEHPTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-9-18-17(8-10-19(5)6)16-12-14(3)13(2)11-15(16)4/h11-12,17-18H,7-10H2,1-6H3.
What are the key properties of N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.60, 7 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-(2,4,5-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 115346850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).