(2S)-1-methyl-2-propan-2-yl-1,3-diazinane

C8H18N2 — CID 15939300

IUPAC(2S)-1-methyl-2-propan-2-yl-1,3-diazinane
SMILESCC(C)[C@H]1NCCCN1C
InChIInChI=1S/C8H18N2/c1-7(2)8-9-5-4-6-10(8)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyFQYGZLVGCCOGSD-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.89
Rot. Bonds1

About (2S)-1-methyl-2-propan-2-yl-1,3-diazinane

(2S)-1-methyl-2-propan-2-yl-1,3-diazinane (PubChem CID 15939300) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S)-1-methyl-2-propan-2-yl-1,3-diazinane.

Molecular Properties

Compound Name(2S)-1-methyl-2-propan-2-yl-1,3-diazinane
PubChem CID15939300
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S)-1-methyl-2-propan-2-yl-1,3-diazinane
SMILESCC(C)[C@H]1NCCCN1C
InChIInChI=1S/C8H18N2/c1-7(2)8-9-5-4-6-10(8)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyFQYGZLVGCCOGSD-QMMMGPOBSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
CID 131122145
N-butyl-2-propan-2-yl-1,3-diazinane-1-carboxamide
CID 102437932
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
1,3-dimethyl-1,4-diazepane-2-carboxamide
CID 91123236
1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 64950737
1-methyl-4-propan-2-ylimidazolidine
CID 139454022
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
CID 168910236
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-propan-2-yl-1,3-diazinane?
The IUPAC name of (2S)-1-methyl-2-propan-2-yl-1,3-diazinane (CID 15939300) is (2S)-1-methyl-2-propan-2-yl-1,3-diazinane.
What is the SMILES notation for (2S)-1-methyl-2-propan-2-yl-1,3-diazinane?
The canonical SMILES for (2S)-1-methyl-2-propan-2-yl-1,3-diazinane is CC(C)[C@H]1NCCCN1C.
What is the InChIKey of (2S)-1-methyl-2-propan-2-yl-1,3-diazinane?
The InChIKey is FQYGZLVGCCOGSD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)8-9-5-4-6-10(8)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-methyl-2-propan-2-yl-1,3-diazinane?
(2S)-1-methyl-2-propan-2-yl-1,3-diazinane has a molecular weight of 142.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-propan-2-yl-1,3-diazinane is sourced from PubChem (CID 15939300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).