3-(octan-4-ylamino)pentanenitrile

C13H26N2 — CID 104720823

IUPAC3-(octan-4-ylamino)pentanenitrile
SMILESCCCCC(CCC)NC(CC)CC#N
InChIInChI=1S/C13H26N2/c1-4-7-9-13(8-5-2)15-12(6-3)10-11-14/h12-13,15H,4-10H2,1-3H3
InChIKeyZFIIXDNPGBHBSC-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.63
Rot. Bonds9

About 3-(octan-4-ylamino)pentanenitrile

3-(octan-4-ylamino)pentanenitrile (PubChem CID 104720823) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(octan-4-ylamino)pentanenitrile.

Molecular Properties

Compound Name3-(octan-4-ylamino)pentanenitrile
PubChem CID104720823
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-(octan-4-ylamino)pentanenitrile
SMILESCCCCC(CCC)NC(CC)CC#N
InChIInChI=1S/C13H26N2/c1-4-7-9-13(8-5-2)15-12(6-3)10-11-14/h12-13,15H,4-10H2,1-3H3
InChIKeyZFIIXDNPGBHBSC-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexylaminopropiononitrile
CID 61201
3-Octadecylaminopropiononitrile
CID 80490
3-(Dodecylamino)propiononitrile
CID 78499
3-(Hexylamino)propanenitrile
CID 557761
3-(Octylamino)propiononitrile
CID 122399
1-Heptanamine, 1-methyl, N-ethyl
CID 525053
Octanenitrile, 2-amino-
CID 112682
3-(Cyclooctylamino)propionitrile
CID 2060578
3-(Piperidin-2-yl)propanenitrile
CID 55288336
N-hexyloctan-2-amine
CID 14902093
Isopropyl-n-octyl-amine
CID 15919822
(Dodecylamino)acetonitrile
CID 222308

Frequently Asked Questions

What is the IUPAC name of 3-(octan-4-ylamino)pentanenitrile?
The IUPAC name of 3-(octan-4-ylamino)pentanenitrile (CID 104720823) is 3-(octan-4-ylamino)pentanenitrile.
What is the SMILES notation for 3-(octan-4-ylamino)pentanenitrile?
The canonical SMILES for 3-(octan-4-ylamino)pentanenitrile is CCCCC(CCC)NC(CC)CC#N.
What is the InChIKey of 3-(octan-4-ylamino)pentanenitrile?
The InChIKey is ZFIIXDNPGBHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-9-13(8-5-2)15-12(6-3)10-11-14/h12-13,15H,4-10H2,1-3H3.
What are the key properties of 3-(octan-4-ylamino)pentanenitrile?
3-(octan-4-ylamino)pentanenitrile has a molecular weight of 210.36 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octan-4-ylamino)pentanenitrile is sourced from PubChem (CID 104720823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).