1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine

C34H74N6 — CID 161197402

IUPAC1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N.C5H11N.C4H9N/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3
InChIKeyUUNKISLYBDWQOK-UHFFFAOYSA-N
MW567.01 g/mol
LogP5.83
Rot. Bonds

About 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine

1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 161197402) has the molecular formula C34H74N6 and a molecular weight of 567.01 g/mol. Its IUPAC name is 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID161197402
Molecular FormulaC34H74N6
Molecular Weight567.01 g/mol
Exact Mass566.60
IUPAC Name1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N.C5H11N.C4H9N/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3
InChIKeyUUNKISLYBDWQOK-UHFFFAOYSA-N
XLogP5.83
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.01
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine 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

1-Methylazepane;tris(1-methylpiperidine)
CID 123602809
4-[(2R)-1-(4-propan-2-yl-1,4-diazabicyclo[3.1.1]heptan-2-yl)propan-2-yl]-1,4-diazabicyclo[3.2.1]octane
CID 130220259
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
Methane;1-methylazepane;tetrakis(1-methylpiperidine);1-methylpyrrolidine
CID 158388215
N-ethyl-N-methylethanamine;N-methanidyl-N-methylethanamine;N-methanidyl-N-methylpropan-1-amine;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine;tris(yttrium)
CID 158691210
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 158830181
1-(2-Methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158830501
1-Methylazepane;1-methylazetidine;bis(1-methylpiperidine)
CID 159209964
1-Methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159398994
1-Methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159900388
Methane;1-methylazetidine;1-methylaziridine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 159928621
Methane;1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160736129

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine (CID 161197402) is 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine is CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is UUNKISLYBDWQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.3C6H13N.C5H11N.C4H9N/c1-8-6-4-2-3-5-7-8;3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3.
What are the key properties of 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine?
1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 567.01 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;1-methylazetidine;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 161197402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).