5-[pentyl(propan-2-yl)amino]pentanenitrile

C13H26N2 — CID 55208074

IUPAC5-[pentyl(propan-2-yl)amino]pentanenitrile
SMILESCCCCCN(CCCCC#N)C(C)C
InChIInChI=1S/C13H26N2/c1-4-5-8-11-15(13(2)3)12-9-6-7-10-14/h13H,4-9,11-12H2,1-3H3
InChIKeyNWZMBAOWZGEOJL-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.58
Rot. Bonds9

About 5-[pentyl(propan-2-yl)amino]pentanenitrile

5-[pentyl(propan-2-yl)amino]pentanenitrile (PubChem CID 55208074) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-[pentyl(propan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[pentyl(propan-2-yl)amino]pentanenitrile
PubChem CID55208074
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-[pentyl(propan-2-yl)amino]pentanenitrile
SMILESCCCCCN(CCCCC#N)C(C)C
InChIInChI=1S/C13H26N2/c1-4-5-8-11-15(13(2)3)12-9-6-7-10-14/h13H,4-9,11-12H2,1-3H3
InChIKeyNWZMBAOWZGEOJL-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679

Frequently Asked Questions

What is the IUPAC name of 5-[pentyl(propan-2-yl)amino]pentanenitrile?
The IUPAC name of 5-[pentyl(propan-2-yl)amino]pentanenitrile (CID 55208074) is 5-[pentyl(propan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 5-[pentyl(propan-2-yl)amino]pentanenitrile?
The canonical SMILES for 5-[pentyl(propan-2-yl)amino]pentanenitrile is CCCCCN(CCCCC#N)C(C)C.
What is the InChIKey of 5-[pentyl(propan-2-yl)amino]pentanenitrile?
The InChIKey is NWZMBAOWZGEOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-8-11-15(13(2)3)12-9-6-7-10-14/h13H,4-9,11-12H2,1-3H3.
What are the key properties of 5-[pentyl(propan-2-yl)amino]pentanenitrile?
5-[pentyl(propan-2-yl)amino]pentanenitrile has a molecular weight of 210.36 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[pentyl(propan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 55208074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).