ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine

C20H47N3 — CID 91221856

IUPACethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine
SMILESCC.CCN(C)CC.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.C6H13N.C5H13N.C2H6/c1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-4-6(3)5-2;1-2/h2-7H2,1H3;2-6H2,1H3;4-5H2,1-3H3;1-2H3
InChIKeyQOESVPUFXPEWTA-UHFFFAOYSA-N
MW329.62 g/mol
LogP4.58
Rot. Bonds2

About ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine

ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine (PubChem CID 91221856) has the molecular formula C20H47N3 and a molecular weight of 329.62 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine
PubChem CID91221856
Molecular FormulaC20H47N3
Molecular Weight329.62 g/mol
Exact Mass329.38
IUPAC Nameethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine
SMILESCC.CCN(C)CC.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.C6H13N.C5H13N.C2H6/c1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-4-6(3)5-2;1-2/h2-7H2,1H3;2-6H2,1H3;4-5H2,1-3H3;1-2H3
InChIKeyQOESVPUFXPEWTA-UHFFFAOYSA-N
XLogP4.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
CID 159297877
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
ethanamine;ethane;1-methylpiperidine
CID 177317211
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
azane;ethane;methane;1-methylpiperidine
CID 159571038
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine?
The IUPAC name of ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine (CID 91221856) is ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine.
What is the SMILES notation for ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine?
The canonical SMILES for ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine is CC.CCN(C)CC.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine?
The InChIKey is QOESVPUFXPEWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H13N.C5H13N.C2H6/c1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-4-6(3)5-2;1-2/h2-7H2,1H3;2-6H2,1H3;4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine?
ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine has a molecular weight of 329.62 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine is sourced from PubChem (CID 91221856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).