3-(hex-5-enylamino)propanenitrile

C9H16N2 — CID 101282809

IUPAC3-(hex-5-enylamino)propanenitrile
SMILESC=CCCCCNCCC#N
InChIInChI=1S/C9H16N2/c1-2-3-4-5-8-11-9-6-7-10/h2,11H,1,3-6,8-9H2
InChIKeyWWHDRVSPHJWDDZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.85
Rot. Bonds7

About 3-(hex-5-enylamino)propanenitrile

3-(hex-5-enylamino)propanenitrile (PubChem CID 101282809) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(hex-5-enylamino)propanenitrile.

Molecular Properties

Compound Name3-(hex-5-enylamino)propanenitrile
PubChem CID101282809
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(hex-5-enylamino)propanenitrile
SMILESC=CCCCCNCCC#N
InChIInChI=1S/C9H16N2/c1-2-3-4-5-8-11-9-6-7-10/h2,11H,1,3-6,8-9H2
InChIKeyWWHDRVSPHJWDDZ-UHFFFAOYSA-N
XLogP1.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oct-7-enenitrile
CID 10909562
3-[[(E)-non-7-enyl]amino]propanenitrile
CID 101282852
3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-[[(E)-dec-6-enyl]amino]propanenitrile
CID 101282868
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869
N'-hept-6-enylethane-1,2-diamine
CID 107006766
N-propylnon-8-en-1-amine
CID 107010151
3-(hex-5-ynylamino)propanenitrile
CID 106211843
3-(10-aminodecylamino)propanenitrile
CID 129353819
tetradeca-4,13-dienenitrile
CID 76548823
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
N'-pent-4-enylbutane-1,4-diamine
CID 89325974

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-enylamino)propanenitrile?
The IUPAC name of 3-(hex-5-enylamino)propanenitrile (CID 101282809) is 3-(hex-5-enylamino)propanenitrile.
What is the SMILES notation for 3-(hex-5-enylamino)propanenitrile?
The canonical SMILES for 3-(hex-5-enylamino)propanenitrile is C=CCCCCNCCC#N.
What is the InChIKey of 3-(hex-5-enylamino)propanenitrile?
The InChIKey is WWHDRVSPHJWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-5-8-11-9-6-7-10/h2,11H,1,3-6,8-9H2.
What are the key properties of 3-(hex-5-enylamino)propanenitrile?
3-(hex-5-enylamino)propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-enylamino)propanenitrile is sourced from PubChem (CID 101282809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).