(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine

C8H15N3 — CID 167486721

IUPAC(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine
SMILESC/N=C(/C=C(/C)N)C1CNC1
InChIInChI=1S/C8H15N3/c1-6(9)3-8(10-2)7-4-11-5-7/h3,7,11H,4-5,9H2,1-2H3/b6-3-,10-8-
InChIKeyLOQJSRMEOLZNMI-HWXAKVPCSA-N
MW153.23 g/mol
LogP0.14
Rot. Bonds2

About (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine

(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine (PubChem CID 167486721) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine
PubChem CID167486721
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine
SMILESC/N=C(/C=C(/C)N)C1CNC1
InChIInChI=1S/C8H15N3/c1-6(9)3-8(10-2)7-4-11-5-7/h3,7,11H,4-5,9H2,1-2H3/b6-3-,10-8-
InChIKeyLOQJSRMEOLZNMI-HWXAKVPCSA-N
XLogP0.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613745
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
CID 144643391
(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
CID 144758059
N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
CID 150520194
(Z)-N,5-dimethyl-4-methyliminohex-2-en-2-amine
CID 155055211
(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
CID 166745368
(E)-N,5-dimethyl-4-methyliminohex-2-en-3-amine
CID 166983864
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
CID 167485931
N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
CID 167486130
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine
CID 168895404

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine?
The IUPAC name of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine (CID 167486721) is (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine is C/N=C(/C=C(/C)N)C1CNC1.
What is the InChIKey of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine?
The InChIKey is LOQJSRMEOLZNMI-HWXAKVPCSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)3-8(10-2)7-4-11-5-7/h3,7,11H,4-5,9H2,1-2H3/b6-3-,10-8-.
What are the key properties of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine?
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 167486721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).