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

C7H13N3 — CID 167485932

IUPAC(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)C1CNC1
InChIInChI=1S/C7H13N3/c1-5(8)2-7(9)6-3-10-4-6/h2,6,9-10H,3-4,8H2,1H3/b5-2-,9-7+
InChIKeyZHIBXUGXOJAIBN-BGOCSULRSA-N
MW139.20 g/mol
LogP0.09
Rot. Bonds2

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

(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine (PubChem CID 167485932) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine
PubChem CID167485932
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)C1CNC1
InChIInChI=1S/C7H13N3/c1-5(8)2-7(9)6-3-10-4-6/h2,6,9-10H,3-4,8H2,1H3/b5-2-,9-7+
InChIKeyZHIBXUGXOJAIBN-BGOCSULRSA-N
XLogP0.09
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
3-ethylimino-1-N,6-dimethylhept-4-ene-1,5-diamine
CID 174137843
6-Imino-3-methyl-5-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 176567437
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine
CID 167486721

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine?
The IUPAC name of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine (CID 167485932) is (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine.
What is the SMILES notation for (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine?
The canonical SMILES for (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine is [H]/N=C(\C=C(\C)N)C1CNC1.
What is the InChIKey of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine?
The InChIKey is ZHIBXUGXOJAIBN-BGOCSULRSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(8)2-7(9)6-3-10-4-6/h2,6,9-10H,3-4,8H2,1H3/b5-2-,9-7+.
What are the key properties of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine?
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine is sourced from PubChem (CID 167485932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).