1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

C19H34N2 — CID 79058869

IUPAC1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-8-19(9-2,21(6)7)18(20-10-3)14-17-12-15(4)11-16(5)13-17/h11-13,18,20H,8-10,14H2,1-7H3
InChIKeyFLPLODCEZANEIS-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.94
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 79058869) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID79058869
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-8-19(9-2,21(6)7)18(20-10-3)14-17-12-15(4)11-16(5)13-17/h11-13,18,20H,8-10,14H2,1-7H3
InChIKeyFLPLODCEZANEIS-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 105406535
1-(3-chloro-4-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103040221
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726799
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160
1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058846
2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
CID 107049899
1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062404
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
1-(4-bromophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064098
N-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061182

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 79058869) is 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCNC(Cc1cc(C)cc(C)c1)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is FLPLODCEZANEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-19(9-2,21(6)7)18(20-10-3)14-17-12-15(4)11-16(5)13-17/h11-13,18,20H,8-10,14H2,1-7H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79058869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).