1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

C17H30N2 — CID 79069136

IUPAC1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1cc(C)ccc1C
InChIInChI=1S/C17H30N2/c1-7-17(6,19(8-2)9-3)16(18)15-12-13(4)10-11-14(15)5/h10-12,16H,7-9,18H2,1-6H3
InChIKeyKHCNJZXUPUIQTQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds6

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

1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (PubChem CID 79069136) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
PubChem CID79069136
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1cc(C)ccc1C
InChIInChI=1S/C17H30N2/c1-7-17(6,19(8-2)9-3)16(18)15-12-13(4)10-11-14(15)5/h10-12,16H,7-9,18H2,1-6H3
InChIKeyKHCNJZXUPUIQTQ-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
CID 79068432
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
CID 105241982
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
1-(4-bromothiophen-3-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79602252
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069053
2-(1-bromo-2,2-dimethylbutyl)-1,4-dimethylbenzene
CID 63442120
2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708310

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (CID 79069136) is 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The InChIKey is KHCNJZXUPUIQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-17(6,19(8-2)9-3)16(18)15-12-13(4)10-11-14(15)5/h10-12,16H,7-9,18H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79069136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).