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

C12H22N2 — CID 101282840

IUPAC2-[[(E)-non-3-enyl]amino]propanenitrile
SMILESCCCCC/C=C/CCNC(C)C#N
InChIInChI=1S/C12H22N2/c1-3-4-5-6-7-8-9-10-14-12(2)11-13/h7-8,12,14H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyHCSGCQGBEBTPRH-BQYQJAHWSA-N
MW194.32 g/mol
LogP3.01
Rot. Bonds8

About 2-[[(E)-non-3-enyl]amino]propanenitrile

2-[[(E)-non-3-enyl]amino]propanenitrile (PubChem CID 101282840) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[[(E)-non-3-enyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[(E)-non-3-enyl]amino]propanenitrile
PubChem CID101282840
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[[(E)-non-3-enyl]amino]propanenitrile
SMILESCCCCC/C=C/CCNC(C)C#N
InChIInChI=1S/C12H22N2/c1-3-4-5-6-7-8-9-10-14-12(2)11-13/h7-8,12,14H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyHCSGCQGBEBTPRH-BQYQJAHWSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.01
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

2-[[(E)-dec-4-enyl]amino]propanenitrile
CID 101282857
2-[[(E)-dec-5-enyl]amino]propanenitrile
CID 101282858
2-[[(E)-hept-2-enyl]amino]propanenitrile
CID 101282812
2-(heptylamino)propanenitrile
CID 101282810
N-propan-2-yldodec-3-en-1-amine
CID 79592983
octadec-6-enenitrile
CID 54098739
N-(2-methylpropyl)undec-3-en-1-amine
CID 79599551
(E)-dec-4-enenitrile
CID 88850530
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
(E)-hexacos-10-ene
CID 22172169
(Z)-heptacos-11-ene
CID 56936074
(E)-hexadec-6-ene
CID 5352260

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-non-3-enyl]amino]propanenitrile?
The IUPAC name of 2-[[(E)-non-3-enyl]amino]propanenitrile (CID 101282840) is 2-[[(E)-non-3-enyl]amino]propanenitrile.
What is the SMILES notation for 2-[[(E)-non-3-enyl]amino]propanenitrile?
The canonical SMILES for 2-[[(E)-non-3-enyl]amino]propanenitrile is CCCCC/C=C/CCNC(C)C#N.
What is the InChIKey of 2-[[(E)-non-3-enyl]amino]propanenitrile?
The InChIKey is HCSGCQGBEBTPRH-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-5-6-7-8-9-10-14-12(2)11-13/h7-8,12,14H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of 2-[[(E)-non-3-enyl]amino]propanenitrile?
2-[[(E)-non-3-enyl]amino]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-non-3-enyl]amino]propanenitrile is sourced from PubChem (CID 101282840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).