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

C30H65N5 — CID 159900388

IUPAC1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N.C5H11N/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/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3
InChIKeyNVWMULDRHHPESX-UHFFFAOYSA-N
MW495.89 g/mol
LogP5.51
Rot. Bonds

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

1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159900388) has the molecular formula C30H65N5 and a molecular weight of 495.89 g/mol. Its IUPAC name is 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159900388
Molecular FormulaC30H65N5
Molecular Weight495.89 g/mol
Exact Mass495.52
IUPAC Name1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.3C6H13N.C5H11N/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/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3
InChIKeyNVWMULDRHHPESX-UHFFFAOYSA-N
XLogP5.51
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.89
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methylazepane;tris(1-methylpiperidine)
CID 123602809
3-methyl-8-[2-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane
CID 148468667
Methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 157119616
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
Bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
CID 157439064
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157461988
Tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157621754
1,4-Dimethylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157877999
1-Tert-butylazepane;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane
CID 157965220
Bis(1-tert-butylazepane);tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 158008113
Ethane;methane;bis(1-methylazepane);bis(1-methylpiperidine);1-methylpyrrolidine
CID 158111929
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158178488

Frequently Asked Questions

What is the IUPAC name of 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine (CID 159900388) is 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine is CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is NVWMULDRHHPESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.3C6H13N.C5H11N/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/h2-7H2,1H3;3*2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine?
1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 495.89 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepane;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159900388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).