ethane;methanol;1-methylazepane

C10H25NO — CID 171650925

IUPACethane;methanol;1-methylazepane
SMILESCC.CN1CCCCCC1.CO
InChIInChI=1S/C7H15N.C2H6.CH4O/c1-8-6-4-2-3-5-7-8;2*1-2/h2-7H2,1H3;1-2H3;2H,1H3
InChIKeyRFMVZUUORBTVPR-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.13
Rot. Bonds

About ethane;methanol;1-methylazepane

ethane;methanol;1-methylazepane (PubChem CID 171650925) has the molecular formula C10H25NO and a molecular weight of 175.32 g/mol. Its IUPAC name is ethane;methanol;1-methylazepane.

Molecular Properties

Compound Nameethane;methanol;1-methylazepane
PubChem CID171650925
Molecular FormulaC10H25NO
Molecular Weight175.32 g/mol
Exact Mass175.19
IUPAC Nameethane;methanol;1-methylazepane
SMILESCC.CN1CCCCCC1.CO
InChIInChI=1S/C7H15N.C2H6.CH4O/c1-8-6-4-2-3-5-7-8;2*1-2/h2-7H2,1H3;1-2H3;2H,1H3
InChIKeyRFMVZUUORBTVPR-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
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1-methylpiperidine
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CID 153385238
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
azane;ethane;methane;1-methylpiperidine
CID 159571038
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
CID 68772535
CID 68772535

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1-methylazepane?
The IUPAC name of ethane;methanol;1-methylazepane (CID 171650925) is ethane;methanol;1-methylazepane.
What is the SMILES notation for ethane;methanol;1-methylazepane?
The canonical SMILES for ethane;methanol;1-methylazepane is CC.CN1CCCCCC1.CO.
What is the InChIKey of ethane;methanol;1-methylazepane?
The InChIKey is RFMVZUUORBTVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6.CH4O/c1-8-6-4-2-3-5-7-8;2*1-2/h2-7H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1-methylazepane?
ethane;methanol;1-methylazepane has a molecular weight of 175.32 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1-methylazepane is sourced from PubChem (CID 171650925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).