1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

C18H32N2 — CID 79053836

IUPAC1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1cc(C)ccc1C)C(C)(C)N(C)C
InChIInChI=1S/C18H32N2/c1-8-11-19-17(18(4,5)20(6)7)13-16-12-14(2)9-10-15(16)3/h9-10,12,17,19H,8,11,13H2,1-7H3
InChIKeyLQWOSWXRXIBRQI-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.55
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (PubChem CID 79053836) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
PubChem CID79053836
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1cc(C)ccc1C)C(C)(C)N(C)C
InChIInChI=1S/C18H32N2/c1-8-11-19-17(18(4,5)20(6)7)13-16-12-14(2)9-10-15(16)3/h9-10,12,17,19H,8,11,13H2,1-7H3
InChIKeyLQWOSWXRXIBRQI-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053319
1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053636
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053736
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
CID 115845513
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (CID 79053836) is 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is CCCNC(Cc1cc(C)ccc1C)C(C)(C)N(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The InChIKey is LQWOSWXRXIBRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-11-19-17(18(4,5)20(6)7)13-16-12-14(2)9-10-15(16)3/h9-10,12,17,19H,8,11,13H2,1-7H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 79053836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).