4-(diethylamino)-1-ethylazepane-4-carbonitrile

C13H25N3 — CID 65077429

IUPAC4-(diethylamino)-1-ethylazepane-4-carbonitrile
SMILESCCN1CCCC(C#N)(N(CC)CC)CC1
InChIInChI=1S/C13H25N3/c1-4-15-10-7-8-13(12-14,9-11-15)16(5-2)6-3/h4-11H2,1-3H3
InChIKeyIDFCMOUSSRLXAK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.10
Rot. Bonds4

About 4-(diethylamino)-1-ethylazepane-4-carbonitrile

4-(diethylamino)-1-ethylazepane-4-carbonitrile (PubChem CID 65077429) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(diethylamino)-1-ethylazepane-4-carbonitrile.

Molecular Properties

Compound Name4-(diethylamino)-1-ethylazepane-4-carbonitrile
PubChem CID65077429
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(diethylamino)-1-ethylazepane-4-carbonitrile
SMILESCCN1CCCC(C#N)(N(CC)CC)CC1
InChIInChI=1S/C13H25N3/c1-4-15-10-7-8-13(12-14,9-11-15)16(5-2)6-3/h4-11H2,1-3H3
InChIKeyIDFCMOUSSRLXAK-UHFFFAOYSA-N
XLogP2.10
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-1-propylazepane-4-carbonitrile
CID 65077380
4-(diethylamino)oxane-4-carbonitrile
CID 43802728
1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65085850
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-ethyl-4-(prop-2-ynylamino)azepane-4-carbonitrile
CID 65076196
8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802681
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
1-ethyl-5,5-difluoroazocane
CID 162614940
1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43802703
1-ethyl-4-(3-hydroxypropylamino)azepane-4-carbonitrile
CID 65076348
1,6-diethyl-1,6-diazecane
CID 172611513

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-ethylazepane-4-carbonitrile?
The IUPAC name of 4-(diethylamino)-1-ethylazepane-4-carbonitrile (CID 65077429) is 4-(diethylamino)-1-ethylazepane-4-carbonitrile.
What is the SMILES notation for 4-(diethylamino)-1-ethylazepane-4-carbonitrile?
The canonical SMILES for 4-(diethylamino)-1-ethylazepane-4-carbonitrile is CCN1CCCC(C#N)(N(CC)CC)CC1.
What is the InChIKey of 4-(diethylamino)-1-ethylazepane-4-carbonitrile?
The InChIKey is IDFCMOUSSRLXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-15-10-7-8-13(12-14,9-11-15)16(5-2)6-3/h4-11H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-ethylazepane-4-carbonitrile?
4-(diethylamino)-1-ethylazepane-4-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-ethylazepane-4-carbonitrile is sourced from PubChem (CID 65077429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).