1-butyl-3-methyl-2-methylidene-1,3-diazinane

C10H20N2 — CID 144892580

IUPAC1-butyl-3-methyl-2-methylidene-1,3-diazinane
SMILESC=C1N(C)CCCN1CCCC
InChIInChI=1S/C10H20N2/c1-4-5-8-12-9-6-7-11(3)10(12)2/h2,4-9H2,1,3H3
InChIKeyMNJHSGODVOXKLG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.90
Rot. Bonds3

About 1-butyl-3-methyl-2-methylidene-1,3-diazinane

1-butyl-3-methyl-2-methylidene-1,3-diazinane (PubChem CID 144892580) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-butyl-3-methyl-2-methylidene-1,3-diazinane.

Molecular Properties

Compound Name1-butyl-3-methyl-2-methylidene-1,3-diazinane
PubChem CID144892580
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-butyl-3-methyl-2-methylidene-1,3-diazinane
SMILESC=C1N(C)CCCN1CCCC
InChIInChI=1S/C10H20N2/c1-4-5-8-12-9-6-7-11(3)10(12)2/h2,4-9H2,1,3H3
InChIKeyMNJHSGODVOXKLG-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylidene-1-nonylpyrrolidine
CID 70210485
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
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1-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 21025400
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
1,3-dibutylimidazolidin-2-one
CID 20887
1-butyl-1,3-diazepan-2-one
CID 150099536
1-butylazetidine;ethane
CID 143628082
1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
CID 173181742
3-butyl-6-methylidene-1,3-oxazinan-2-one
CID 123635823
1-decyl-3-hydroxy-1,3-diazinan-2-one
CID 15675482
1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
CID 130722720
1-dodecylpyrrolidin-2-one
CID 70222371

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2-methylidene-1,3-diazinane?
The IUPAC name of 1-butyl-3-methyl-2-methylidene-1,3-diazinane (CID 144892580) is 1-butyl-3-methyl-2-methylidene-1,3-diazinane.
What is the SMILES notation for 1-butyl-3-methyl-2-methylidene-1,3-diazinane?
The canonical SMILES for 1-butyl-3-methyl-2-methylidene-1,3-diazinane is C=C1N(C)CCCN1CCCC.
What is the InChIKey of 1-butyl-3-methyl-2-methylidene-1,3-diazinane?
The InChIKey is MNJHSGODVOXKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-8-12-9-6-7-11(3)10(12)2/h2,4-9H2,1,3H3.
What are the key properties of 1-butyl-3-methyl-2-methylidene-1,3-diazinane?
1-butyl-3-methyl-2-methylidene-1,3-diazinane has a molecular weight of 168.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2-methylidene-1,3-diazinane is sourced from PubChem (CID 144892580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).