1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine

C14H24N2 — CID 65039825

IUPAC1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine
SMILESCCC(CC)(CC)Nc1ccc(N)cc1C
InChIInChI=1S/C14H24N2/c1-5-14(6-2,7-3)16-13-9-8-12(15)10-11(13)4/h8-10,16H,5-7,15H2,1-4H3
InChIKeyFZNGPRGZHQDSML-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds5

About 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine

1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine (PubChem CID 65039825) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine
PubChem CID65039825
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine
SMILESCCC(CC)(CC)Nc1ccc(N)cc1C
InChIInChI=1S/C14H24N2/c1-5-14(6-2,7-3)16-13-9-8-12(15)10-11(13)4/h8-10,16H,5-7,15H2,1-4H3
InChIKeyFZNGPRGZHQDSML-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine (CID 65039825) is 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine is CCC(CC)(CC)Nc1ccc(N)cc1C.
What is the InChIKey of 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine?
The InChIKey is FZNGPRGZHQDSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(6-2,7-3)16-13-9-8-12(15)10-11(13)4/h8-10,16H,5-7,15H2,1-4H3.
What are the key properties of 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine?
1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethylpentan-3-yl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 65039825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).