1,2-bis(2-methylpropyl)diaziridine

C9H20N2 — CID 102170583

IUPAC1,2-bis(2-methylpropyl)diaziridine
SMILESCC(C)CN1CN1CC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)5-10-7-11(10)6-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyCMNBSWYQLMASFF-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.79
Rot. Bonds4

About 1,2-bis(2-methylpropyl)diaziridine

1,2-bis(2-methylpropyl)diaziridine (PubChem CID 102170583) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)diaziridine.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)diaziridine
PubChem CID102170583
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1,2-bis(2-methylpropyl)diaziridine
SMILESCC(C)CN1CN1CC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)5-10-7-11(10)6-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyCMNBSWYQLMASFF-UHFFFAOYSA-N
XLogP1.79
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
CID 129193409
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
3-cyclopropyl-1-(2-methylpropyl)azetidine
CID 126994705
CID 171589240
CID 171589240
methane;1-(2-methylpropyl)piperazine
CID 167537973
3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)diaziridine?
The IUPAC name of 1,2-bis(2-methylpropyl)diaziridine (CID 102170583) is 1,2-bis(2-methylpropyl)diaziridine.
What is the SMILES notation for 1,2-bis(2-methylpropyl)diaziridine?
The canonical SMILES for 1,2-bis(2-methylpropyl)diaziridine is CC(C)CN1CN1CC(C)C.
What is the InChIKey of 1,2-bis(2-methylpropyl)diaziridine?
The InChIKey is CMNBSWYQLMASFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)5-10-7-11(10)6-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpropyl)diaziridine?
1,2-bis(2-methylpropyl)diaziridine has a molecular weight of 156.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)diaziridine is sourced from PubChem (CID 102170583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).