3-(hex-5-ynylamino)propanenitrile

C9H14N2 — CID 106211843

IUPAC3-(hex-5-ynylamino)propanenitrile
SMILESC#CCCCCNCCC#N
InChIInChI=1S/C9H14N2/c1-2-3-4-5-8-11-9-6-7-10/h1,11H,3-6,8-9H2
InChIKeyMIPQMONOIDJHKH-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.29
Rot. Bonds6

About 3-(hex-5-ynylamino)propanenitrile

3-(hex-5-ynylamino)propanenitrile (PubChem CID 106211843) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 3-(hex-5-ynylamino)propanenitrile.

Molecular Properties

Compound Name3-(hex-5-ynylamino)propanenitrile
PubChem CID106211843
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name3-(hex-5-ynylamino)propanenitrile
SMILESC#CCCCCNCCC#N
InChIInChI=1S/C9H14N2/c1-2-3-4-5-8-11-9-6-7-10/h1,11H,3-6,8-9H2
InChIKeyMIPQMONOIDJHKH-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyanoethylamino)propanenitrile
CID 160846337
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
3-(10-aminodecylamino)propanenitrile
CID 129353819
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
N-(3,3,3-trifluoropropyl)hex-5-yn-1-amine
CID 106211547
3-(hex-5-enylamino)propanenitrile
CID 101282809
3-[4-[bis(2-cyanoethyl)amino]butylamino]propanenitrile
CID 100994583
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
CID 106211426
6-(hex-5-ynylamino)hexanoic acid
CID 106212008
3-(hex-5-ynylamino)propanamide
CID 106211456
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-ynylamino)propanenitrile?
The IUPAC name of 3-(hex-5-ynylamino)propanenitrile (CID 106211843) is 3-(hex-5-ynylamino)propanenitrile.
What is the SMILES notation for 3-(hex-5-ynylamino)propanenitrile?
The canonical SMILES for 3-(hex-5-ynylamino)propanenitrile is C#CCCCCNCCC#N.
What is the InChIKey of 3-(hex-5-ynylamino)propanenitrile?
The InChIKey is MIPQMONOIDJHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-4-5-8-11-9-6-7-10/h1,11H,3-6,8-9H2.
What are the key properties of 3-(hex-5-ynylamino)propanenitrile?
3-(hex-5-ynylamino)propanenitrile has a molecular weight of 150.23 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-ynylamino)propanenitrile is sourced from PubChem (CID 106211843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).