1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane

C10H22N4 — CID 167260336

IUPAC1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane
SMILESCN1CCCN(CN2CCCCN2)C1
InChIInChI=1S/C10H22N4/c1-12-6-4-7-13(9-12)10-14-8-3-2-5-11-14/h11H,2-10H2,1H3
InChIKeyZFPSNHYZXJCJMS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.14
Rot. Bonds2

About 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane

1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane (PubChem CID 167260336) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane.

Molecular Properties

Compound Name1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane
PubChem CID167260336
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane
SMILESCN1CCCN(CN2CCCCN2)C1
InChIInChI=1S/C10H22N4/c1-12-6-4-7-13(9-12)10-14-8-3-2-5-11-14/h11H,2-10H2,1H3
InChIKeyZFPSNHYZXJCJMS-UHFFFAOYSA-N
XLogP0.14
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-1,3-diazinane
CID 22044310
1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane
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1-methyl-1,6,11,16-tetrazacycloicosane
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1,6-dimethyl-1,6,11,16-tetrazacycloicosane
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1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
diazepan-1-ylmethanol
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1-propylpyrazolidine
CID 19604024
1-(piperidin-1-ylmethyl)piperazine
CID 20508970
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
CID 172772830
CID 172772830
ethane;bis(1-methylpyrrolidine)
CID 153385238
piperidine;1-propylpiperidine
CID 67843364

Frequently Asked Questions

What is the IUPAC name of 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane?
The IUPAC name of 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane (CID 167260336) is 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane.
What is the SMILES notation for 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane?
The canonical SMILES for 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane is CN1CCCN(CN2CCCCN2)C1.
What is the InChIKey of 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane?
The InChIKey is ZFPSNHYZXJCJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-12-6-4-7-13(9-12)10-14-8-3-2-5-11-14/h11H,2-10H2,1H3.
What are the key properties of 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane?
1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane has a molecular weight of 198.31 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane is sourced from PubChem (CID 167260336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).