1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane

C9H20N4 — CID 166883484

IUPAC1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane
SMILESCN1CCN(CN2CCCNC2)C1
InChIInChI=1S/C9H20N4/c1-11-5-6-13(8-11)9-12-4-2-3-10-7-12/h10H,2-9H2,1H3
InChIKeyWIKQFDPDHJBXSG-UHFFFAOYSA-N
MW184.29 g/mol
LogP-0.60
Rot. Bonds2

About 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane

1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane (PubChem CID 166883484) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane
PubChem CID166883484
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane
SMILESCN1CCN(CN2CCCNC2)C1
InChIInChI=1S/C9H20N4/c1-11-5-6-13(8-11)9-12-4-2-3-10-7-12/h10H,2-9H2,1H3
InChIKeyWIKQFDPDHJBXSG-UHFFFAOYSA-N
XLogP-0.60
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1,3-diazepane
CID 91576185
1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane
CID 167260336
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
1-butyl-1,4-diazepane;ethane
CID 168976024
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
1-ethyl-3-methyl-1,3-diazinane
CID 22044310
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-ethyl-3-methylimidazolidine;phosphane;bromide
CID 167699735
3-(1,4-diazepan-1-yl)-N-methylpropan-1-amine;ethane;molecular hydrogen
CID 142021934
1-[(3-fluoropiperidin-3-yl)methyl]-4-methylpiperazine
CID 84681273
1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane
CID 67024959

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane?
The IUPAC name of 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane (CID 166883484) is 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane.
What is the SMILES notation for 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane?
The canonical SMILES for 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane is CN1CCN(CN2CCCNC2)C1.
What is the InChIKey of 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane?
The InChIKey is WIKQFDPDHJBXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-11-5-6-13(8-11)9-12-4-2-3-10-7-12/h10H,2-9H2,1H3.
What are the key properties of 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane?
1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane has a molecular weight of 184.29 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane is sourced from PubChem (CID 166883484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).