N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine

C10H16N2 — CID 123671371

IUPACN-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine
SMILESC=NC(=CC(=C)CC)C1CNC1
InChIInChI=1S/C10H16N2/c1-4-8(2)5-10(11-3)9-6-12-7-9/h5,9,12H,2-4,6-7H2,1H3
InChIKeyOFMJEOXSRDZXGI-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine

N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine (PubChem CID 123671371) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine
PubChem CID123671371
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine
SMILESC=NC(=CC(=C)CC)C1CNC1
InChIInChI=1S/C10H16N2/c1-4-8(2)5-10(11-3)9-6-12-7-9/h5,9,12H,2-4,6-7H2,1H3
InChIKeyOFMJEOXSRDZXGI-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z,4E)-6-(azetidin-3-yl)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 132180455
(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine
CID 142375473
(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
CID 144758059
(4E,6Z)-N,4-dimethyl-7-(methylideneamino)octa-4,6-dien-1-amine
CID 167071290
(3Z,5Z)-4-ethenyl-N-ethyl-6-methyl-3-(methylideneamino)nona-3,5-dien-1-amine
CID 169690997
(4E,6Z)-N,7-dimethyl-6-[(methylideneamino)methylidene]octa-1,4-dien-4-amine
CID 170971963
(2E,4Z)-5-ethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]hepta-2,4,6-trien-2-amine
CID 143988090
N-[(3Z,5Z)-6-(azetidin-3-yl)-2-methylhepta-3,5-dien-3-yl]methanimine
CID 164927018

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine?
The IUPAC name of N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine (CID 123671371) is N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine.
What is the SMILES notation for N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine?
The canonical SMILES for N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine is C=NC(=CC(=C)CC)C1CNC1.
What is the InChIKey of N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine?
The InChIKey is OFMJEOXSRDZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-8(2)5-10(11-3)9-6-12-7-9/h5,9,12H,2-4,6-7H2,1H3.
What are the key properties of N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine?
N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)-3-methylidenepent-1-enyl]methanimine is sourced from PubChem (CID 123671371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).