1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)

C23H50N4 — CID 159209964

IUPAC1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)
SMILESCN1CCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C6H13N.C4H9N/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-5-3-2-4-5/h2-7H2,1H3;2*2-6H2,1H3;2-4H2,1H3
InChIKeyKQJHNBJKEVZMJG-UHFFFAOYSA-N
MW382.68 g/mol
LogP4.02
Rot. Bonds

About 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)

1-methylazepane;1-methylazetidine;bis(1-methylpiperidine) (PubChem CID 159209964) has the molecular formula C23H50N4 and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine).

Molecular Properties

Compound Name1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)
PubChem CID159209964
Molecular FormulaC23H50N4
Molecular Weight382.68 g/mol
Exact Mass382.40
IUPAC Name1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)
SMILESCN1CCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C6H13N.C4H9N/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-5-3-2-4-5/h2-7H2,1H3;2*2-6H2,1H3;2-4H2,1H3
InChIKeyKQJHNBJKEVZMJG-UHFFFAOYSA-N
XLogP4.02
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.68
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylazepane;tris(1-methylpiperidine)
CID 123602809
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 158830181
1-Methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159398994
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160736129
Methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160986078
1-Methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 161197402
1-Propan-2-ylazepane;1-propan-2-ylazetidine;tris(1-propan-2-ylpiperidine)
CID 161251219

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)?
The IUPAC name of 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine) (CID 159209964) is 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine).
What is the SMILES notation for 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)?
The canonical SMILES for 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine) is CN1CCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)?
The InChIKey is KQJHNBJKEVZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C6H13N.C4H9N/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-5-3-2-4-5/h2-7H2,1H3;2*2-6H2,1H3;2-4H2,1H3.
What are the key properties of 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine)?
1-methylazepane;1-methylazetidine;bis(1-methylpiperidine) has a molecular weight of 382.68 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;1-methylazetidine;bis(1-methylpiperidine) is sourced from PubChem (CID 159209964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).