3-amino-1-methylazepane-3-carbonitrile

C8H15N3 — CID 131563627

IUPAC3-amino-1-methylazepane-3-carbonitrile
SMILESCN1CCCCC(N)(C#N)C1
InChIInChI=1S/C8H15N3/c1-11-5-3-2-4-8(10,6-9)7-11/h2-5,7,10H2,1H3
InChIKeyMTZRKGRXYZGEQG-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.32
Rot. Bonds

About 3-amino-1-methylazepane-3-carbonitrile

3-amino-1-methylazepane-3-carbonitrile (PubChem CID 131563627) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-amino-1-methylazepane-3-carbonitrile.

Molecular Properties

Compound Name3-amino-1-methylazepane-3-carbonitrile
PubChem CID131563627
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-amino-1-methylazepane-3-carbonitrile
SMILESCN1CCCCC(N)(C#N)C1
InChIInChI=1S/C8H15N3/c1-11-5-3-2-4-8(10,6-9)7-11/h2-5,7,10H2,1H3
InChIKeyMTZRKGRXYZGEQG-UHFFFAOYSA-N
XLogP0.32
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Tert-butylamino)-1-methylazepane-3-carbonitrile
CID 22972975
4-(Tert-butylamino)-1-methylazepane-4-carbonitrile
CID 22972978
1-Methyl-4-(methylamino)azepane-4-carbonitrile
CID 65074999
4-Amino-1-propylazepane-4-carbonitrile
CID 65075883
3-Amino-1-propylazepane-3-carbonitrile
CID 69749050
1,3-Dimethylazepan-3-amine
CID 83479174
2-(4-Amino-1-propan-2-ylazepan-4-yl)acetonitrile
CID 131375916
Ethane;1-methyl-4-(methylamino)azepane-4-carbonitrile
CID 142123409
2-Amino-2-[[ethyl(methyl)amino]methyl]pentanenitrile;ethane;molecular hydrogen
CID 142227700
3-Methyl-1-propan-2-ylazepan-3-amine
CID 154651436
3-(Tert-butylamino)-1-methylazepane-3-carbonitrile;methane
CID 160435151
4-(Tert-butylamino)-1-methylazepane-4-carbonitrile;methane
CID 160727287

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylazepane-3-carbonitrile?
The IUPAC name of 3-amino-1-methylazepane-3-carbonitrile (CID 131563627) is 3-amino-1-methylazepane-3-carbonitrile.
What is the SMILES notation for 3-amino-1-methylazepane-3-carbonitrile?
The canonical SMILES for 3-amino-1-methylazepane-3-carbonitrile is CN1CCCCC(N)(C#N)C1.
What is the InChIKey of 3-amino-1-methylazepane-3-carbonitrile?
The InChIKey is MTZRKGRXYZGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11-5-3-2-4-8(10,6-9)7-11/h2-5,7,10H2,1H3.
What are the key properties of 3-amino-1-methylazepane-3-carbonitrile?
3-amino-1-methylazepane-3-carbonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylazepane-3-carbonitrile is sourced from PubChem (CID 131563627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).