2-(1,4-diazepan-1-yl)hexanenitrile

C11H21N3 — CID 61353151

IUPAC2-(1,4-diazepan-1-yl)hexanenitrile
SMILESCCCCC(C#N)N1CCCNCC1
InChIInChI=1S/C11H21N3/c1-2-3-5-11(10-12)14-8-4-6-13-7-9-14/h11,13H,2-9H2,1H3
InChIKeyUWAMJHGBPPADGV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)hexanenitrile

2-(1,4-diazepan-1-yl)hexanenitrile (PubChem CID 61353151) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)hexanenitrile.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)hexanenitrile
PubChem CID61353151
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(1,4-diazepan-1-yl)hexanenitrile
SMILESCCCCC(C#N)N1CCCNCC1
InChIInChI=1S/C11H21N3/c1-2-3-5-11(10-12)14-8-4-6-13-7-9-14/h11,13H,2-9H2,1H3
InChIKeyUWAMJHGBPPADGV-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ylhexanenitrile
CID 61351764
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
1-hexan-2-yl-1,5-diazocane
CID 62200653
cyanamide;cyclopentane;1-hexan-2-ylpiperazine
CID 143761748
3-cyano-3-(1,4-diazepan-1-yl)-N-methylpropanamide
CID 66429064
1-octan-2-yl-1,4-diazepane
CID 61057071
5-hydroxy-2-piperidin-1-ylpentanenitrile
CID 68992298
1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
1-heptan-2-ylpiperazine
CID 61464712
2-(4-hexylpiperazin-1-yl)pentanenitrile
CID 63339849
2-[(1R)-1-piperazin-1-ylpentyl]benzene-1,3,5-triol
CID 171308517
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
CID 171172183

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)hexanenitrile?
The IUPAC name of 2-(1,4-diazepan-1-yl)hexanenitrile (CID 61353151) is 2-(1,4-diazepan-1-yl)hexanenitrile.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)hexanenitrile?
The canonical SMILES for 2-(1,4-diazepan-1-yl)hexanenitrile is CCCCC(C#N)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)hexanenitrile?
The InChIKey is UWAMJHGBPPADGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-5-11(10-12)14-8-4-6-13-7-9-14/h11,13H,2-9H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)hexanenitrile?
2-(1,4-diazepan-1-yl)hexanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)hexanenitrile is sourced from PubChem (CID 61353151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).