6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile

C15H30N2 — CID 106709382

IUPAC6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile
SMILESCCC(CC)(CC)NCCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-6-15(7-2,8-3)17-12-10-9-11-14(4,5)13-16/h17H,6-12H2,1-5H3
InChIKeyPYQHRTAJUACZQX-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.26
Rot. Bonds9

About 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile

6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile (PubChem CID 106709382) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile
PubChem CID106709382
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile
SMILESCCC(CC)(CC)NCCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-6-15(7-2,8-3)17-12-10-9-11-14(4,5)13-16/h17H,6-12H2,1-5H3
InChIKeyPYQHRTAJUACZQX-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2,2-dimethylpentanenitrile
CID 107865253
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile
CID 65253879
6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709649
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile (CID 106709382) is 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile is CCC(CC)(CC)NCCCCC(C)(C)C#N.
What is the InChIKey of 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile?
The InChIKey is PYQHRTAJUACZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-15(7-2,8-3)17-12-10-9-11-14(4,5)13-16/h17H,6-12H2,1-5H3.
What are the key properties of 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile?
6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile has a molecular weight of 238.42 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).