methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine

C25H47N3 — CID 157352684

IUPACmethylcyclohexane;bis(1-methylpiperidine);4-methylpyridine
SMILESCC1CCCCC1.CN1CCCCC1.CN1CCCCC1.Cc1ccncc1
InChIInChI=1S/C7H14.C6H7N.2C6H13N/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-7-5-3-2-4-6-7/h7H,2-6H2,1H3;2-5H,1H3;2*2-6H2,1H3
InChIKeyBHSJRVOWBPCHLD-UHFFFAOYSA-N
MW389.67 g/mol
LogP6.18
Rot. Bonds

About methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine

methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine (PubChem CID 157352684) has the molecular formula C25H47N3 and a molecular weight of 389.67 g/mol. Its IUPAC name is methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine.

Molecular Properties

Compound Namemethylcyclohexane;bis(1-methylpiperidine);4-methylpyridine
PubChem CID157352684
Molecular FormulaC25H47N3
Molecular Weight389.67 g/mol
Exact Mass389.38
IUPAC Namemethylcyclohexane;bis(1-methylpiperidine);4-methylpyridine
SMILESCC1CCCCC1.CN1CCCCC1.CN1CCCCC1.Cc1ccncc1
InChIInChI=1S/C7H14.C6H7N.2C6H13N/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-7-5-3-2-4-6-7/h7H,2-6H2,1H3;2-5H,1H3;2*2-6H2,1H3
InChIKeyBHSJRVOWBPCHLD-UHFFFAOYSA-N
XLogP6.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine?
The IUPAC name of methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine (CID 157352684) is methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine.
What is the SMILES notation for methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine?
The canonical SMILES for methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine is CC1CCCCC1.CN1CCCCC1.CN1CCCCC1.Cc1ccncc1.
What is the InChIKey of methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine?
The InChIKey is BHSJRVOWBPCHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H7N.2C6H13N/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-7-5-3-2-4-6-7/h7H,2-6H2,1H3;2-5H,1H3;2*2-6H2,1H3.
What are the key properties of methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine?
methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine has a molecular weight of 389.67 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;bis(1-methylpiperidine);4-methylpyridine is sourced from PubChem (CID 157352684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).