4-propan-2-yl-1,3-diazinane

C7H16N2 — CID 58473806

IUPAC4-propan-2-yl-1,3-diazinane
SMILESCC(C)C1CCNCN1
InChIInChI=1S/C7H16N2/c1-6(2)7-3-4-8-5-9-7/h6-9H,3-5H2,1-2H3
InChIKeyIELPDYIZEFCEKQ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.55
Rot. Bonds1

About 4-propan-2-yl-1,3-diazinane

4-propan-2-yl-1,3-diazinane (PubChem CID 58473806) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-diazinane.

Molecular Properties

Compound Name4-propan-2-yl-1,3-diazinane
PubChem CID58473806
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name4-propan-2-yl-1,3-diazinane
SMILESCC(C)C1CCNCN1
InChIInChI=1S/C7H16N2/c1-6(2)7-3-4-8-5-9-7/h6-9H,3-5H2,1-2H3
InChIKeyIELPDYIZEFCEKQ-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-propan-2-ylpiperidine
CID 7022854
(2R)-2-propan-2-ylazepane
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ethane;2-propan-2-ylpiperidine
CID 154671868
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
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(2S,6S)-2,6-di(propan-2-yl)piperidine;methane
CID 157197776
(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
CID 170903987
4-fluoro-2-propan-2-ylpiperidine
CID 84762912
6-propan-2-yl-5-azaspiro[2.5]octane
CID 169176157
1-(1,3-diazinan-4-yl)ethanone
CID 67472235
4-fluoro-2-propan-2-ylpiperidine;hydrochloride
CID 115016067
ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 158490394
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-diazinane?
The IUPAC name of 4-propan-2-yl-1,3-diazinane (CID 58473806) is 4-propan-2-yl-1,3-diazinane.
What is the SMILES notation for 4-propan-2-yl-1,3-diazinane?
The canonical SMILES for 4-propan-2-yl-1,3-diazinane is CC(C)C1CCNCN1.
What is the InChIKey of 4-propan-2-yl-1,3-diazinane?
The InChIKey is IELPDYIZEFCEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)7-3-4-8-5-9-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-diazinane?
4-propan-2-yl-1,3-diazinane has a molecular weight of 128.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-diazinane is sourced from PubChem (CID 58473806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).