4-(dimethylamino)-1-propylazepane-4-carbonitrile

C12H23N3 — CID 65077380

IUPAC4-(dimethylamino)-1-propylazepane-4-carbonitrile
SMILESCCCN1CCCC(C#N)(N(C)C)CC1
InChIInChI=1S/C12H23N3/c1-4-8-15-9-5-6-12(11-13,7-10-15)14(2)3/h4-10H2,1-3H3
InChIKeyLFRRTHPJDFBAAP-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.71
Rot. Bonds3

About 4-(dimethylamino)-1-propylazepane-4-carbonitrile

4-(dimethylamino)-1-propylazepane-4-carbonitrile (PubChem CID 65077380) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(dimethylamino)-1-propylazepane-4-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-1-propylazepane-4-carbonitrile
PubChem CID65077380
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(dimethylamino)-1-propylazepane-4-carbonitrile
SMILESCCCN1CCCC(C#N)(N(C)C)CC1
InChIInChI=1S/C12H23N3/c1-4-8-15-9-5-6-12(11-13,7-10-15)14(2)3/h4-10H2,1-3H3
InChIKeyLFRRTHPJDFBAAP-UHFFFAOYSA-N
XLogP1.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-1-ethylazepane-4-carbonitrile
CID 65077429
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603
4-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625
2-(4-hydroxy-1-propylazepan-4-yl)pentanenitrile
CID 79415753
4-(methylamino)-1-propylpiperidine-4-carbonitrile
CID 28899448
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
3-(4-hydroxy-1-propylazepan-4-yl)oxane-3-carbonitrile
CID 103715854
1-propylpyrrolidine;hydrobromide
CID 173024709
4-(3-bromoanilino)-1-propylazepane-4-carbonitrile
CID 65075835
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-propylazepane-4-carbonitrile?
The IUPAC name of 4-(dimethylamino)-1-propylazepane-4-carbonitrile (CID 65077380) is 4-(dimethylamino)-1-propylazepane-4-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-1-propylazepane-4-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-1-propylazepane-4-carbonitrile is CCCN1CCCC(C#N)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-propylazepane-4-carbonitrile?
The InChIKey is LFRRTHPJDFBAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-8-15-9-5-6-12(11-13,7-10-15)14(2)3/h4-10H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-propylazepane-4-carbonitrile?
4-(dimethylamino)-1-propylazepane-4-carbonitrile has a molecular weight of 209.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-propylazepane-4-carbonitrile is sourced from PubChem (CID 65077380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).