N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine

C11H20N2 — CID 167486130

IUPACN-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
SMILESCC/C=C(CC1CNC1)\N=C\CC
InChIInChI=1S/C11H20N2/c1-3-5-11(13-6-4-2)7-10-8-12-9-10/h5-6,10,12H,3-4,7-9H2,1-2H3/b11-5-,13-6+
InChIKeyGNUZCYFYYGIHQW-FALRLRKYSA-N
MW180.29 g/mol
LogP2.37
Rot. Bonds5

About N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine

N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine (PubChem CID 167486130) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
PubChem CID167486130
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
SMILESCC/C=C(CC1CNC1)\N=C\CC
InChIInChI=1S/C11H20N2/c1-3-5-11(13-6-4-2)7-10-8-12-9-10/h5-6,10,12H,3-4,7-9H2,1-2H3/b11-5-,13-6+
InChIKeyGNUZCYFYYGIHQW-FALRLRKYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-1-methyliminohex-2-en-3-amine
CID 88953346
2-(ethylideneamino)-N,3,4-trimethylcyclobuten-1-amine
CID 89263323
N-methyl-2-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 91433495
2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
CID 123170118
1,4-Dimethyl-2,3,4,7-tetrahydroazocin-1-ium-5-amine
CID 123677821
1-(3,4-dihydropyridin-6-yl)-N,2-dimethylpropan-2-amine
CID 143751746
(4S)-4-[(E)-but-2-en-2-yl]-N-methyl-4,5-dihydro-3H-azepin-6-amine
CID 163592619
4-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-N,3-dimethylbutan-2-amine
CID 166775426
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
CID 167485931
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
N-methyl-1-methyliminohex-2-en-3-amine
CID 173471906
N,4-dimethyl-1-methyliminopent-2-en-3-amine
CID 173754075

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine?
The IUPAC name of N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine (CID 167486130) is N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine.
What is the SMILES notation for N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine?
The canonical SMILES for N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine is CC/C=C(CC1CNC1)\N=C\CC.
What is the InChIKey of N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine?
The InChIKey is GNUZCYFYYGIHQW-FALRLRKYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-11(13-6-4-2)7-10-8-12-9-10/h5-6,10,12H,3-4,7-9H2,1-2H3/b11-5-,13-6+.
What are the key properties of N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine?
N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine has a molecular weight of 180.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine is sourced from PubChem (CID 167486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).