3-propan-2-yl-1-propyldiaziridine

C7H16N2 — CID 142127717

IUPAC3-propan-2-yl-1-propyldiaziridine
SMILESCCCN1NC1C(C)C
InChIInChI=1S/C7H16N2/c1-4-5-9-7(8-9)6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyNNTPUDDFCUULAZ-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.20
Rot. Bonds3

About 3-propan-2-yl-1-propyldiaziridine

3-propan-2-yl-1-propyldiaziridine (PubChem CID 142127717) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-propan-2-yl-1-propyldiaziridine.

Molecular Properties

Compound Name3-propan-2-yl-1-propyldiaziridine
PubChem CID142127717
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-propan-2-yl-1-propyldiaziridine
SMILESCCCN1NC1C(C)C
InChIInChI=1S/C7H16N2/c1-4-5-9-7(8-9)6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyNNTPUDDFCUULAZ-UHFFFAOYSA-N
XLogP1.20
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-methyl-2-propan-2-yl-5-propylimidazolidin-4-one
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2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778208
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
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(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
CID 134195529
2-propan-2-yl-4-propylmorpholine
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3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole
CID 154326537
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
2-methyl-1-(1-propylazetidin-3-yl)propan-1-one
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2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-propyldiaziridine?
The IUPAC name of 3-propan-2-yl-1-propyldiaziridine (CID 142127717) is 3-propan-2-yl-1-propyldiaziridine.
What is the SMILES notation for 3-propan-2-yl-1-propyldiaziridine?
The canonical SMILES for 3-propan-2-yl-1-propyldiaziridine is CCCN1NC1C(C)C.
What is the InChIKey of 3-propan-2-yl-1-propyldiaziridine?
The InChIKey is NNTPUDDFCUULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-9-7(8-9)6(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-propyldiaziridine?
3-propan-2-yl-1-propyldiaziridine has a molecular weight of 128.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-propyldiaziridine is sourced from PubChem (CID 142127717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).