6-[di(propan-2-yl)amino]hex-5-enenitrile

C12H22N2 — CID 87406009

IUPAC6-[di(propan-2-yl)amino]hex-5-enenitrile
SMILESCC(C)N(C=CCCCC#N)C(C)C
InChIInChI=1S/C12H22N2/c1-11(2)14(12(3)4)10-8-6-5-7-9-13/h8,10-12H,5-7H2,1-4H3
InChIKeyLQKLWLQRXCTUJE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.31
Rot. Bonds6

About 6-[di(propan-2-yl)amino]hex-5-enenitrile

6-[di(propan-2-yl)amino]hex-5-enenitrile (PubChem CID 87406009) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-[di(propan-2-yl)amino]hex-5-enenitrile.

Molecular Properties

Compound Name6-[di(propan-2-yl)amino]hex-5-enenitrile
PubChem CID87406009
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name6-[di(propan-2-yl)amino]hex-5-enenitrile
SMILESCC(C)N(C=CCCCC#N)C(C)C
InChIInChI=1S/C12H22N2/c1-11(2)14(12(3)4)10-8-6-5-7-9-13/h8,10-12H,5-7H2,1-4H3
InChIKeyLQKLWLQRXCTUJE-UHFFFAOYSA-N
XLogP3.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[di(propan-2-yl)amino]hex-5-enenitrile?
The IUPAC name of 6-[di(propan-2-yl)amino]hex-5-enenitrile (CID 87406009) is 6-[di(propan-2-yl)amino]hex-5-enenitrile.
What is the SMILES notation for 6-[di(propan-2-yl)amino]hex-5-enenitrile?
The canonical SMILES for 6-[di(propan-2-yl)amino]hex-5-enenitrile is CC(C)N(C=CCCCC#N)C(C)C.
What is the InChIKey of 6-[di(propan-2-yl)amino]hex-5-enenitrile?
The InChIKey is LQKLWLQRXCTUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)14(12(3)4)10-8-6-5-7-9-13/h8,10-12H,5-7H2,1-4H3.
What are the key properties of 6-[di(propan-2-yl)amino]hex-5-enenitrile?
6-[di(propan-2-yl)amino]hex-5-enenitrile has a molecular weight of 194.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(propan-2-yl)amino]hex-5-enenitrile is sourced from PubChem (CID 87406009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).