(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine

C12H26N4 — CID 90073858

IUPAC(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine
SMILESCCC[C@@]1(C)NN1CCN1N[C@@]1(C)CCC
InChIInChI=1S/C12H26N4/c1-5-7-11(3)13-15(11)9-10-16-12(4,14-16)8-6-2/h13-14H,5-10H2,1-4H3/t11-,12+,15?,16?
InChIKeyXBDZQPZPDYRINX-RJAIZQQDSA-N
MW226.37 g/mol
LogP1.66
Rot. Bonds7

About (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine

(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine (PubChem CID 90073858) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine
PubChem CID90073858
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine
SMILESCCC[C@@]1(C)NN1CCN1N[C@@]1(C)CCC
InChIInChI=1S/C12H26N4/c1-5-7-11(3)13-15(11)9-10-16-12(4,14-16)8-6-2/h13-14H,5-10H2,1-4H3/t11-,12+,15?,16?
InChIKeyXBDZQPZPDYRINX-RJAIZQQDSA-N
XLogP1.66
TPSA49.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine
CID 3618404
1-[2-(3,3-diheptyldiaziridin-1-yl)ethyl]-3,3-diheptyldiaziridine
CID 56947787
ethane;5-methoxy-1,2-dimethyl-2-propylimidazolidine;2-methylpropane
CID 142077593
3-ethyl-2,5-dimethyl-2-propylimidazolidin-4-one
CID 126989870
3-ethyl-2-methyl-2-propylimidazolidin-4-one
CID 130684335
2,3-dimethyl-2-propylaziridine
CID 123992321
3-methyl-3-propyldioxirane
CID 13451050
3,5-dimethyl-5-propyl-1,3-oxazinane-2,4-dione
CID 11971074
4-fluoro-1,2-dimethyl-2-propylpyrrolidine
CID 170704706
(2S)-1-iodo-2-methyl-2-propylazetidine
CID 145095394
1-methyl-3-propylbicyclo[3.3.1]nonan-3-amine
CID 130315860
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine?
The IUPAC name of (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine (CID 90073858) is (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine.
What is the SMILES notation for (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine?
The canonical SMILES for (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine is CCC[C@@]1(C)NN1CCN1N[C@@]1(C)CCC.
What is the InChIKey of (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine?
The InChIKey is XBDZQPZPDYRINX-RJAIZQQDSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-7-11(3)13-15(11)9-10-16-12(4,14-16)8-6-2/h13-14H,5-10H2,1-4H3/t11-,12+,15?,16?.
What are the key properties of (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine?
(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine has a molecular weight of 226.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine is sourced from PubChem (CID 90073858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).