methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine

C27H64N4 — CID 160986078

IUPACmethane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C6H13N.C5H11N.3CH4/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyTTZNPNBZUVJZGJ-UHFFFAOYSA-N
MW444.84 g/mol
LogP6.32
Rot. Bonds

About methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine

methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 160986078) has the molecular formula C27H64N4 and a molecular weight of 444.84 g/mol. Its IUPAC name is methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID160986078
Molecular FormulaC27H64N4
Molecular Weight444.84 g/mol
Exact Mass444.51
IUPAC Namemethane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.2C6H13N.C5H11N.3CH4/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyTTZNPNBZUVJZGJ-UHFFFAOYSA-N
XLogP6.32
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 160986078) is methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine is C.C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is TTZNPNBZUVJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C6H13N.C5H11N.3CH4/c1-8-6-4-2-3-5-7-8;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h2-7H2,1H3;2*2-6H2,1H3;2-5H2,1H3;3*1H4.
What are the key properties of methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine?
methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 444.84 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 160986078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).