1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane

C18H46N6 — CID 157314435

IUPAC1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
SMILESC.C.CN1CCCN(C)C1.CN1CCN(C)CC1.CN1CN(C)C1
InChIInChI=1S/2C6H14N2.C4H10N2.2CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-6(2)4-5;;/h2*3-6H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyBDKQRXRYUQIIIN-UHFFFAOYSA-N
MW346.61 g/mol
LogP1.13
Rot. Bonds

About 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane

1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane (PubChem CID 157314435) has the molecular formula C18H46N6 and a molecular weight of 346.61 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
PubChem CID157314435
Molecular FormulaC18H46N6
Molecular Weight346.61 g/mol
Exact Mass346.38
IUPAC Name1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
SMILESC.C.CN1CCCN(C)C1.CN1CCN(C)CC1.CN1CN(C)C1
InChIInChI=1S/2C6H14N2.C4H10N2.2CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-6(2)4-5;;/h2*3-6H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyBDKQRXRYUQIIIN-UHFFFAOYSA-N
XLogP1.13
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 51.13
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-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane?
The IUPAC name of 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane (CID 157314435) is 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane.
What is the SMILES notation for 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane?
The canonical SMILES for 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane is C.C.CN1CCCN(C)C1.CN1CCN(C)CC1.CN1CN(C)C1.
What is the InChIKey of 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane?
The InChIKey is BDKQRXRYUQIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N2.C4H10N2.2CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-6(2)4-5;;/h2*3-6H2,1-2H3;3-4H2,1-2H3;2*1H4.
What are the key properties of 1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane?
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane has a molecular weight of 346.61 g/mol, XLogP of 1.13, 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-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane is sourced from PubChem (CID 157314435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).