2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine

C10H18N2 — CID 116680336

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C)CC(C)=C1CNC1
InChIInChI=1S/C10H18N2/c1-4-5-12(3)8-9(2)10-6-11-7-10/h4,11H,1,5-8H2,2-3H3
InChIKeyLWXKABNHTJXRRB-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.02
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine

2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 116680336) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine
PubChem CID116680336
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C)CC(C)=C1CNC1
InChIInChI=1S/C10H18N2/c1-4-5-12(3)8-9(2)10-6-11-7-10/h4,11H,1,5-8H2,2-3H3
InChIKeyLWXKABNHTJXRRB-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl-(2-methylprop-2-enyl)-prop-2-enylazanium
CID 59821388
3-(azetidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 70621844
N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine
CID 123627492
1-[2-(Azetidin-3-ylidene)ethyl]pyrrolidine
CID 141886270
(E)-N-ethyl-N,2-dimethylbut-2-en-1-amine;(E)-N-ethyl-2-methylbut-2-en-1-amine
CID 146540551
Methane;methyl-(2-methylprop-2-enyl)-prop-2-enylazanium
CID 157862474
(Z)-4-(azetidin-1-yl)-N-methylbut-2-en-1-amine
CID 170099558
2-(azetidin-3-ylidene)-N,N-dimethylethanamine
CID 172184949
N-ethyl-N,2-dimethylbut-2-en-1-amine;N-ethyl-2-methylbut-2-en-1-amine
CID 173856313
(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine
CID 55287137
N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine
CID 66214313
N,N'-dimethyl-N'-(3-methylbut-2-enyl)propane-1,3-diamine
CID 80398905

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine (CID 116680336) is 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine is C=CCN(C)CC(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is LWXKABNHTJXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-12(3)8-9(2)10-6-11-7-10/h4,11H,1,5-8H2,2-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine?
2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 116680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).