1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane

C12H26N4 — CID 67024959

IUPAC1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane
SMILESC1CNC(CCCCN2CCCNC2)NC1
InChIInChI=1S/C12H26N4/c1(5-12-14-7-3-8-15-12)2-9-16-10-4-6-13-11-16/h12-15H,1-11H2
InChIKeyFZXVHONJIFFKAE-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.32
Rot. Bonds5

About 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane

1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane (PubChem CID 67024959) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane.

Molecular Properties

Compound Name1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane
PubChem CID67024959
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane
SMILESC1CNC(CCCCN2CCCNC2)NC1
InChIInChI=1S/C12H26N4/c1(5-12-14-7-3-8-15-12)2-9-16-10-4-6-13-11-16/h12-15H,1-11H2
InChIKeyFZXVHONJIFFKAE-UHFFFAOYSA-N
XLogP0.32
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-piperidin-2-ylbutyl)piperidine
CID 15057319
3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 10741951
1-ethyl-1,3-diazepane
CID 91576185
2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954
3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 142128574
4-(1,4-diazepan-1-yl)butan-1-amine
CID 64981149
3-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115522482
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
1-[(3-methylimidazolidin-1-yl)methyl]-1,3-diazinane
CID 166883484
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane?
The IUPAC name of 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane (CID 67024959) is 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane.
What is the SMILES notation for 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane?
The canonical SMILES for 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane is C1CNC(CCCCN2CCCNC2)NC1.
What is the InChIKey of 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane?
The InChIKey is FZXVHONJIFFKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1(5-12-14-7-3-8-15-12)2-9-16-10-4-6-13-11-16/h12-15H,1-11H2.
What are the key properties of 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane?
1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane has a molecular weight of 226.37 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-diazinan-2-yl)butyl]-1,3-diazinane is sourced from PubChem (CID 67024959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).