2-(1-ethylazepan-4-yl)acetonitrile

C10H18N2 — CID 83914417

IUPAC2-(1-ethylazepan-4-yl)acetonitrile
SMILESCCN1CCCC(CC#N)CC1
InChIInChI=1S/C10H18N2/c1-2-12-8-3-4-10(5-7-11)6-9-12/h10H,2-6,8-9H2,1H3
InChIKeyFKSYASWACSPUJQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About 2-(1-ethylazepan-4-yl)acetonitrile

2-(1-ethylazepan-4-yl)acetonitrile (PubChem CID 83914417) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(1-ethylazepan-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethylazepan-4-yl)acetonitrile
PubChem CID83914417
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(1-ethylazepan-4-yl)acetonitrile
SMILESCCN1CCCC(CC#N)CC1
InChIInChI=1S/C10H18N2/c1-2-12-8-3-4-10(5-7-11)6-9-12/h10H,2-6,8-9H2,1H3
InChIKeyFKSYASWACSPUJQ-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
1,4-diethylazepane
CID 67522864
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
2-cycloundecylacetonitrile
CID 89159933
2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
CID 84670665
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
4-(cyanomethyl)azepane-1-carboxylic acid
CID 67156015
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
1,4-diethylpiperidine;ethane
CID 143709904
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
2-(1-cyclohexylpiperidin-4-yl)acetonitrile
CID 83916529

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylazepan-4-yl)acetonitrile?
The IUPAC name of 2-(1-ethylazepan-4-yl)acetonitrile (CID 83914417) is 2-(1-ethylazepan-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethylazepan-4-yl)acetonitrile?
The canonical SMILES for 2-(1-ethylazepan-4-yl)acetonitrile is CCN1CCCC(CC#N)CC1.
What is the InChIKey of 2-(1-ethylazepan-4-yl)acetonitrile?
The InChIKey is FKSYASWACSPUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-12-8-3-4-10(5-7-11)6-9-12/h10H,2-6,8-9H2,1H3.
What are the key properties of 2-(1-ethylazepan-4-yl)acetonitrile?
2-(1-ethylazepan-4-yl)acetonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylazepan-4-yl)acetonitrile is sourced from PubChem (CID 83914417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).