1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine

C17H30N2 — CID 79088757

IUPAC1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCCCNC(Cc1c(C)cc(C)cc1C)CN(C)C
InChIInChI=1S/C17H30N2/c1-7-8-18-16(12-19(5)6)11-17-14(3)9-13(2)10-15(17)4/h9-10,16,18H,7-8,11-12H2,1-6H3
InChIKeyPLQAUYUTLWKGBO-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.08
Rot. Bonds7

About 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine (PubChem CID 79088757) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
PubChem CID79088757
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
SMILESCCCNC(Cc1c(C)cc(C)cc1C)CN(C)C
InChIInChI=1S/C17H30N2/c1-7-8-18-16(12-19(5)6)11-17-14(3)9-13(2)10-15(17)4/h9-10,16,18H,7-8,11-12H2,1-6H3
InChIKeyPLQAUYUTLWKGBO-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089402
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
CID 79089113
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
CID 63413264
1-(2-fluoro-4,6-dimethylphenyl)-N-propylhexan-3-amine
CID 106882504
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine (CID 79088757) is 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine is CCCNC(Cc1c(C)cc(C)cc1C)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine?
The InChIKey is PLQAUYUTLWKGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-8-18-16(12-19(5)6)11-17-14(3)9-13(2)10-15(17)4/h9-10,16,18H,7-8,11-12H2,1-6H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 79088757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).