1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine

C17H30N2 — CID 79063641

IUPAC1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
SMILESCCc1ccc(CC(NC)C(C)(CC)N(C)C)cc1
InChIInChI=1S/C17H30N2/c1-7-14-9-11-15(12-10-14)13-16(18-4)17(3,8-2)19(5)6/h9-12,16,18H,7-8,13H2,1-6H3
InChIKeyQZTPNVQNGRKXRO-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.11
Rot. Bonds7

About 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine

1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine (PubChem CID 79063641) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
PubChem CID79063641
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
SMILESCCc1ccc(CC(NC)C(C)(CC)N(C)C)cc1
InChIInChI=1S/C17H30N2/c1-7-14-9-11-15(12-10-14)13-16(18-4)17(3,8-2)19(5)6/h9-12,16,18H,7-8,13H2,1-6H3
InChIKeyQZTPNVQNGRKXRO-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064098
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063654
2-hydrazinyl-1-(4-iodophenyl)-N,N,3-trimethylpentan-3-amine
CID 105240562
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308
1-(1,3-diethylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79064585
1-(3,4-dimethylphenyl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine
CID 105240604
2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine
CID 112643294
3-N,3-N,4-N,3-tetramethylhept-6-ene-3,4-diamine
CID 79063149
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
2-(4-ethylphenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115802983
1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157
1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
CID 65478318

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine?
The IUPAC name of 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine (CID 79063641) is 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine is CCc1ccc(CC(NC)C(C)(CC)N(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine?
The InChIKey is QZTPNVQNGRKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-14-9-11-15(12-10-14)13-16(18-4)17(3,8-2)19(5)6/h9-12,16,18H,7-8,13H2,1-6H3.
What are the key properties of 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine?
1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine is sourced from PubChem (CID 79063641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).