3-methylazepane

C7H15N — CID 14291801

IUPAC3-methylazepane
SMILESCC1CCCCNC1
InChIInChI=1S/C7H15N/c1-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyDSBOHBZVJVNQRR-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.40
Rot. Bonds

About 3-methylazepane

3-methylazepane (PubChem CID 14291801) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3-methylazepane.

Molecular Properties

Compound Name3-methylazepane
PubChem CID14291801
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3-methylazepane
SMILESCC1CCCCNC1
InChIInChI=1S/C7H15N/c1-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyDSBOHBZVJVNQRR-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(3S)-3-methylpiperidine
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ethane;3-methylpiperidine;hydrate
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(3S)-3-methylpiperidine;oxan-4-amine
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methanethiol;3-methylpyrrolidine;dihydrate
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3-methylpyrrolidine;phosphinous acid
CID 142914115
ethane;methanol;3-methylpyrrolidine
CID 143573656
3-methyl-4-tritiopiperidine
CID 59952974
3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine
CID 159916829
2-cyanoguanidine;3-methylpiperidine
CID 130442393
N-ethylethanamine;methanesulfonamide;3-methylpiperidine
CID 70200253
2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine
CID 159960473

Frequently Asked Questions

What is the IUPAC name of 3-methylazepane?
The IUPAC name of 3-methylazepane (CID 14291801) is 3-methylazepane.
What is the SMILES notation for 3-methylazepane?
The canonical SMILES for 3-methylazepane is CC1CCCCNC1.
What is the InChIKey of 3-methylazepane?
The InChIKey is DSBOHBZVJVNQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-methylazepane?
3-methylazepane has a molecular weight of 113.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazepane is sourced from PubChem (CID 14291801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).