1-(azepan-1-yl)-N-methylpropan-1-imine

C10H20N2 — CID 123959692

IUPAC1-(azepan-1-yl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)N1CCCCCC1
InChIInChI=1S/C10H20N2/c1-3-10(11-2)12-8-6-4-5-7-9-12/h3-9H2,1-2H3/b11-10+
InChIKeyLISQTTKNZZJACT-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds1

About 1-(azepan-1-yl)-N-methylpropan-1-imine

1-(azepan-1-yl)-N-methylpropan-1-imine (PubChem CID 123959692) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(azepan-1-yl)-N-methylpropan-1-imine.

Molecular Properties

Compound Name1-(azepan-1-yl)-N-methylpropan-1-imine
PubChem CID123959692
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(azepan-1-yl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)N1CCCCCC1
InChIInChI=1S/C10H20N2/c1-3-10(11-2)12-8-6-4-5-7-9-12/h3-9H2,1-2H3/b11-10+
InChIKeyLISQTTKNZZJACT-ZHACJKMWSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methylazocane-1-carboximidamide
CID 62359325
1-(azepan-1-yl)propan-1-one
CID 3613534
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine
CID 123287600
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1,1-bis(azetidin-1-yl)-N-methylmethanimine
CID 166858642
propanoyl piperidine-1-carboxylate
CID 142786690
2,2-dimethylpropyl N-methylpiperidine-1-carboximidate
CID 177284279
N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
CID 58320086

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-N-methylpropan-1-imine?
The IUPAC name of 1-(azepan-1-yl)-N-methylpropan-1-imine (CID 123959692) is 1-(azepan-1-yl)-N-methylpropan-1-imine.
What is the SMILES notation for 1-(azepan-1-yl)-N-methylpropan-1-imine?
The canonical SMILES for 1-(azepan-1-yl)-N-methylpropan-1-imine is CC/C(=N\C)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-N-methylpropan-1-imine?
The InChIKey is LISQTTKNZZJACT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10(11-2)12-8-6-4-5-7-9-12/h3-9H2,1-2H3/b11-10+.
What are the key properties of 1-(azepan-1-yl)-N-methylpropan-1-imine?
1-(azepan-1-yl)-N-methylpropan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-N-methylpropan-1-imine is sourced from PubChem (CID 123959692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).