N-hex-4-enyl-1-methylaziridin-2-amine

C9H18N2 — CID 123267701

IUPACN-hex-4-enyl-1-methylaziridin-2-amine
SMILESCC=CCCCNC1CN1C
InChIInChI=1S/C9H18N2/c1-3-4-5-6-7-10-9-8-11(9)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyBBPQIOBWUNAJPV-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds5

About N-hex-4-enyl-1-methylaziridin-2-amine

N-hex-4-enyl-1-methylaziridin-2-amine (PubChem CID 123267701) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-hex-4-enyl-1-methylaziridin-2-amine.

Molecular Properties

Compound NameN-hex-4-enyl-1-methylaziridin-2-amine
PubChem CID123267701
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-hex-4-enyl-1-methylaziridin-2-amine
SMILESCC=CCCCNC1CN1C
InChIInChI=1S/C9H18N2/c1-3-4-5-6-7-10-9-8-11(9)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyBBPQIOBWUNAJPV-UHFFFAOYSA-N
XLogP1.20
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-4-enyl-1-methylaziridin-2-amine?
The IUPAC name of N-hex-4-enyl-1-methylaziridin-2-amine (CID 123267701) is N-hex-4-enyl-1-methylaziridin-2-amine.
What is the SMILES notation for N-hex-4-enyl-1-methylaziridin-2-amine?
The canonical SMILES for N-hex-4-enyl-1-methylaziridin-2-amine is CC=CCCCNC1CN1C.
What is the InChIKey of N-hex-4-enyl-1-methylaziridin-2-amine?
The InChIKey is BBPQIOBWUNAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-6-7-10-9-8-11(9)2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of N-hex-4-enyl-1-methylaziridin-2-amine?
N-hex-4-enyl-1-methylaziridin-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-4-enyl-1-methylaziridin-2-amine is sourced from PubChem (CID 123267701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).