N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine

C7H13N3 — CID 126584431

IUPACN-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine
SMILESC=C(CCC1(C)N=N1)NC
InChIInChI=1S/C7H13N3/c1-6(8-3)4-5-7(2)9-10-7/h8H,1,4-5H2,2-3H3
InChIKeyHTNRZGWYDWSDPU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine

N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine (PubChem CID 126584431) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine
PubChem CID126584431
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine
SMILESC=C(CCC1(C)N=N1)NC
InChIInChI=1S/C7H13N3/c1-6(8-3)4-5-7(2)9-10-7/h8H,1,4-5H2,2-3H3
InChIKeyHTNRZGWYDWSDPU-UHFFFAOYSA-N
XLogP1.68
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine?
The IUPAC name of N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine (CID 126584431) is N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine.
What is the SMILES notation for N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine?
The canonical SMILES for N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine is C=C(CCC1(C)N=N1)NC.
What is the InChIKey of N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine?
The InChIKey is HTNRZGWYDWSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(8-3)4-5-7(2)9-10-7/h8H,1,4-5H2,2-3H3.
What are the key properties of N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine?
N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine is sourced from PubChem (CID 126584431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).