1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine

C23H52N6 — CID 158849338

IUPAC1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCN(C)C1.CN1CCN(C)CC1
InChIInChI=1S/2C6H14N2.C6H13N.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3
InChIKeyIZGASWRZJPKNCX-UHFFFAOYSA-N
MW412.71 g/mol
LogP1.89
Rot. Bonds

About 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine

1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 158849338) has the molecular formula C23H52N6 and a molecular weight of 412.71 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine
PubChem CID158849338
Molecular FormulaC23H52N6
Molecular Weight412.71 g/mol
Exact Mass412.43
IUPAC Name1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCN(C)C1.CN1CCN(C)CC1
InChIInChI=1S/2C6H14N2.C6H13N.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3
InChIKeyIZGASWRZJPKNCX-UHFFFAOYSA-N
XLogP1.89
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine (CID 158849338) is 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine is CN1CCCC1.CN1CCCCC1.CN1CCCN(C)C1.CN1CCN(C)CC1.
What is the InChIKey of 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is IZGASWRZJPKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N2.C6H13N.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 412.71 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 158849338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).