2-methyl-1-pentylazepane

C12H25N — CID 134994557

IUPAC2-methyl-1-pentylazepane
SMILESCCCCCN1CCCCCC1C
InChIInChI=1S/C12H25N/c1-3-4-7-10-13-11-8-5-6-9-12(13)2/h12H,3-11H2,1-2H3
InChIKeyOKPLSSOWOXGXOQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-1-pentylazepane

2-methyl-1-pentylazepane (PubChem CID 134994557) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-1-pentylazepane.

Molecular Properties

Compound Name2-methyl-1-pentylazepane
PubChem CID134994557
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-1-pentylazepane
SMILESCCCCCN1CCCCCC1C
InChIInChI=1S/C12H25N/c1-3-4-7-10-13-11-8-5-6-9-12(13)2/h12H,3-11H2,1-2H3
InChIKeyOKPLSSOWOXGXOQ-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-heptyl-2-methylpyrrolidine;methanesulfonic acid
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3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
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2-methyl-1-(5-methylhexyl)piperidine
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1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
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CID 43178283
1-butyl-2-methylpiperidine;nona-1,3,5,7-tetrayne
CID 167639028
1-dodecyl-2-ethylpiperidine
CID 171569899
1-pentyl-2-propylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentylazepane?
The IUPAC name of 2-methyl-1-pentylazepane (CID 134994557) is 2-methyl-1-pentylazepane.
What is the SMILES notation for 2-methyl-1-pentylazepane?
The canonical SMILES for 2-methyl-1-pentylazepane is CCCCCN1CCCCCC1C.
What is the InChIKey of 2-methyl-1-pentylazepane?
The InChIKey is OKPLSSOWOXGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-7-10-13-11-8-5-6-9-12(13)2/h12H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-pentylazepane?
2-methyl-1-pentylazepane has a molecular weight of 183.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentylazepane is sourced from PubChem (CID 134994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).