2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile

C15H30N2 — CID 65254309

IUPAC2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile
SMILESCCCCCCC(C)NCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-5-6-7-8-10-14(2)17-12-9-11-15(3,4)13-16/h14,17H,5-12H2,1-4H3
InChIKeyUNIYIUJFPNJRJU-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.26
Rot. Bonds10

About 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile

2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile (PubChem CID 65254309) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile
PubChem CID65254309
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile
SMILESCCCCCCC(C)NCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-5-6-7-8-10-14(2)17-12-9-11-15(3,4)13-16/h14,17H,5-12H2,1-4H3
InChIKeyUNIYIUJFPNJRJU-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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

6-(hexan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709258
2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile
CID 106709341
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-propylnonan-2-amine
CID 43129664
6-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709639
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
6-(4-hydroxypentan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709557
N-pentan-2-ylheptan-1-amine
CID 43129169

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile (CID 65254309) is 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile is CCCCCCC(C)NCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile?
The InChIKey is UNIYIUJFPNJRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-6-7-8-10-14(2)17-12-9-11-15(3,4)13-16/h14,17H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile?
2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile has a molecular weight of 238.42 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile is sourced from PubChem (CID 65254309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).