3-[[(E)-non-7-enyl]amino]propanenitrile

C12H22N2 — CID 101282852

IUPAC3-[[(E)-non-7-enyl]amino]propanenitrile
SMILESC/C=C/CCCCCCNCCC#N
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-3,14H,4-9,11-12H2,1H3/b3-2+
InChIKeyADCXOHRZUUWRGN-NSCUHMNNSA-N
MW194.32 g/mol
LogP3.02
Rot. Bonds9

About 3-[[(E)-non-7-enyl]amino]propanenitrile

3-[[(E)-non-7-enyl]amino]propanenitrile (PubChem CID 101282852) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[[(E)-non-7-enyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[(E)-non-7-enyl]amino]propanenitrile
PubChem CID101282852
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[[(E)-non-7-enyl]amino]propanenitrile
SMILESC/C=C/CCCCCCNCCC#N
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-3,14H,4-9,11-12H2,1H3/b3-2+
InChIKeyADCXOHRZUUWRGN-NSCUHMNNSA-N
XLogP3.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.02
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

3-[[(E)-dec-6-enyl]amino]propanenitrile
CID 101282868
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869
(E)-tridec-11-enenitrile
CID 101282243
3-(hex-5-enylamino)propanenitrile
CID 101282809
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
3-(10-aminodecylamino)propanenitrile
CID 129353819
3-(2-cyanoethylamino)propanenitrile
CID 160846337
(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
CID 140598914
(E)-N-methyloct-6-en-1-amine
CID 55287936
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
icosa-2,10,18-triene
CID 74063823
hentriaconta-2,10,29-triene
CID 150025785

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-non-7-enyl]amino]propanenitrile?
The IUPAC name of 3-[[(E)-non-7-enyl]amino]propanenitrile (CID 101282852) is 3-[[(E)-non-7-enyl]amino]propanenitrile.
What is the SMILES notation for 3-[[(E)-non-7-enyl]amino]propanenitrile?
The canonical SMILES for 3-[[(E)-non-7-enyl]amino]propanenitrile is C/C=C/CCCCCCNCCC#N.
What is the InChIKey of 3-[[(E)-non-7-enyl]amino]propanenitrile?
The InChIKey is ADCXOHRZUUWRGN-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-3,14H,4-9,11-12H2,1H3/b3-2+.
What are the key properties of 3-[[(E)-non-7-enyl]amino]propanenitrile?
3-[[(E)-non-7-enyl]amino]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-non-7-enyl]amino]propanenitrile is sourced from PubChem (CID 101282852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).