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

C13H24N2 — CID 101282869

IUPAC3-[[(E)-dec-7-enyl]amino]propanenitrile
SMILESCC/C=C/CCCCCCNCCC#N
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h3-4,15H,2,5-10,12-13H2,1H3/b4-3+
InChIKeyJMEGMCDQTOCUFD-ONEGZZNKSA-N
MW208.35 g/mol
LogP3.41
Rot. Bonds10

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

3-[[(E)-dec-7-enyl]amino]propanenitrile (PubChem CID 101282869) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-[[(E)-dec-7-enyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[(E)-dec-7-enyl]amino]propanenitrile
PubChem CID101282869
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-[[(E)-dec-7-enyl]amino]propanenitrile
SMILESCC/C=C/CCCCCCNCCC#N
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h3-4,15H,2,5-10,12-13H2,1H3/b4-3+
InChIKeyJMEGMCDQTOCUFD-ONEGZZNKSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.41
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)-non-7-enyl]amino]propanenitrile
CID 101282852
(E)-dec-7-enenitrile
CID 88850471
trideca-4,10-dienenitrile
CID 131746236
N'-oct-5-enylhexane-1,6-diamine
CID 90705008
3-(hex-5-enylamino)propanenitrile
CID 101282809
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
3-[(E)-hexadec-13-enoxy]propanenitrile
CID 101282723
hept-4-enenitrile
CID 54322660
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-dec-7-enyl]amino]propanenitrile?
The IUPAC name of 3-[[(E)-dec-7-enyl]amino]propanenitrile (CID 101282869) is 3-[[(E)-dec-7-enyl]amino]propanenitrile.
What is the SMILES notation for 3-[[(E)-dec-7-enyl]amino]propanenitrile?
The canonical SMILES for 3-[[(E)-dec-7-enyl]amino]propanenitrile is CC/C=C/CCCCCCNCCC#N.
What is the InChIKey of 3-[[(E)-dec-7-enyl]amino]propanenitrile?
The InChIKey is JMEGMCDQTOCUFD-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h3-4,15H,2,5-10,12-13H2,1H3/b4-3+.
What are the key properties of 3-[[(E)-dec-7-enyl]amino]propanenitrile?
3-[[(E)-dec-7-enyl]amino]propanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-dec-7-enyl]amino]propanenitrile is sourced from PubChem (CID 101282869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).