tetrakis(1-methylazepane);1-methylpiperidine

C34H73N5 — CID 158831274

IUPACtetrakis(1-methylazepane);1-methylpiperidine
SMILESCN1CCCCC1.CN1CCCCCC1.CN1CCCCCC1.CN1CCCCCC1.CN1CCCCCC1
InChIInChI=1S/4C7H15N.C6H13N/c4*1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7/h4*2-7H2,1H3;2-6H2,1H3
InChIKeyIXBNUBLMTCACIW-UHFFFAOYSA-N
MW551.99 g/mol
LogP7.07
Rot. Bonds

About tetrakis(1-methylazepane);1-methylpiperidine

tetrakis(1-methylazepane);1-methylpiperidine (PubChem CID 158831274) has the molecular formula C34H73N5 and a molecular weight of 551.99 g/mol. Its IUPAC name is tetrakis(1-methylazepane);1-methylpiperidine.

Molecular Properties

Compound Nametetrakis(1-methylazepane);1-methylpiperidine
PubChem CID158831274
Molecular FormulaC34H73N5
Molecular Weight551.99 g/mol
Exact Mass551.59
IUPAC Nametetrakis(1-methylazepane);1-methylpiperidine
SMILESCN1CCCCC1.CN1CCCCCC1.CN1CCCCCC1.CN1CCCCCC1.CN1CCCCCC1
InChIInChI=1S/4C7H15N.C6H13N/c4*1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7/h4*2-7H2,1H3;2-6H2,1H3
InChIKeyIXBNUBLMTCACIW-UHFFFAOYSA-N
XLogP7.07
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.99
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tetrakis(1-methylazepane);1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,9-Diazoniadispiro[5.2.69.36]octadecane
CID 3056988
ethane;N-ethyl-N-methylethanamine;1-methylazepane;1-methylpiperidine
CID 91221856
Ethane;1-methylazepane;1-methylpiperidine
CID 142483424
Ethane;methane;bis(1-methylazepane);bis(1-methylpiperidine);1-methylpyrrolidine
CID 158111929
Ethane;tris(1-methylazepane);bis(1-methylpiperidine);1-methylpyrrolidine
CID 158793625
Ethane;methane;1-methylazepane;1-methylpiperidine
CID 159307214
Bis(1-tert-butylazepane);bis(1-tert-butylpiperidine);ethane
CID 160351185
CID 160873450
CID 160873450
CID 160888364
CID 160888364
Ethane;methane;bis(1-methylazepane);bis(1-methylpiperidine);1-methylpyrrolidine
CID 161624343
1-Hexadecylazepane;1-octadecylazepane;1-tetradecylazepane;1-undecylazepane
CID 163423552
1,1-Dimethylazepan-1-ium;ethane;1-ethyl-1-methylazepan-1-ium;propane;1,1,2,2-tetramethylpiperidin-1-ium
CID 171823856

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-methylazepane);1-methylpiperidine?
The IUPAC name of tetrakis(1-methylazepane);1-methylpiperidine (CID 158831274) is tetrakis(1-methylazepane);1-methylpiperidine.
What is the SMILES notation for tetrakis(1-methylazepane);1-methylpiperidine?
The canonical SMILES for tetrakis(1-methylazepane);1-methylpiperidine is CN1CCCCC1.CN1CCCCCC1.CN1CCCCCC1.CN1CCCCCC1.CN1CCCCCC1.
What is the InChIKey of tetrakis(1-methylazepane);1-methylpiperidine?
The InChIKey is IXBNUBLMTCACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H15N.C6H13N/c4*1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7/h4*2-7H2,1H3;2-6H2,1H3.
What are the key properties of tetrakis(1-methylazepane);1-methylpiperidine?
tetrakis(1-methylazepane);1-methylpiperidine has a molecular weight of 551.99 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-methylazepane);1-methylpiperidine is sourced from PubChem (CID 158831274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).