1-methylazepane;tris(1-methylpiperidine)

C25H54N4 — CID 123602809

IUPAC1-methylazepane;tris(1-methylpiperidine)
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7/h2-7H2,1H3;3*2-6H2,1H3
InChIKeyAIZCFCUCXXBFBE-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.80
Rot. Bonds

About 1-methylazepane;tris(1-methylpiperidine)

1-methylazepane;tris(1-methylpiperidine) (PubChem CID 123602809) has the molecular formula C25H54N4 and a molecular weight of 410.74 g/mol. Its IUPAC name is 1-methylazepane;tris(1-methylpiperidine).

Molecular Properties

Compound Name1-methylazepane;tris(1-methylpiperidine)
PubChem CID123602809
Molecular FormulaC25H54N4
Molecular Weight410.74 g/mol
Exact Mass410.43
IUPAC Name1-methylazepane;tris(1-methylpiperidine)
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7/h2-7H2,1H3;3*2-6H2,1H3
InChIKeyAIZCFCUCXXBFBE-UHFFFAOYSA-N
XLogP4.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperazine
CID 199670
1,4-Bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperazine
CID 3063129
3-piperidin-1-yl-N,N-bis(3-piperidin-1-ylpropyl)propan-1-amine
CID 69604364
1-Hexyl-4-pentyl-1,4-diazoniabicyclo[2.2.2]octane
CID 123778712
Bis(1-butylpiperidine);1-propylpiperidine
CID 142128700
Ethane;tris(1-propylpiperidine)
CID 142128706
CID 143658552
CID 143658552
Ethane;tris(1-ethylpiperidine)
CID 145486989
1-Butyl-1-methylpiperidin-1-ium;1-hexyl-1-methylpiperidin-1-ium;1-methyl-1-propylpiperidin-1-ium
CID 157142026
1-Butyl-2-methylpiperidine;bis(1,2-dimethylpiperidine)
CID 157190991
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
Tris(1-butylpiperidine);methane
CID 157590673

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;tris(1-methylpiperidine)?
The IUPAC name of 1-methylazepane;tris(1-methylpiperidine) (CID 123602809) is 1-methylazepane;tris(1-methylpiperidine).
What is the SMILES notation for 1-methylazepane;tris(1-methylpiperidine)?
The canonical SMILES for 1-methylazepane;tris(1-methylpiperidine) is CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 1-methylazepane;tris(1-methylpiperidine)?
The InChIKey is AIZCFCUCXXBFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.3C6H13N/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7/h2-7H2,1H3;3*2-6H2,1H3.
What are the key properties of 1-methylazepane;tris(1-methylpiperidine)?
1-methylazepane;tris(1-methylpiperidine) has a molecular weight of 410.74 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;tris(1-methylpiperidine) is sourced from PubChem (CID 123602809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).