1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine

C9H17N3 — CID 123550690

IUPAC1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine
SMILESCC=C(C)/C(=N\C)N1CC(N)C1
InChIInChI=1S/C9H17N3/c1-4-7(2)9(11-3)12-5-8(10)6-12/h4,8H,5-6,10H2,1-3H3/b7-4?,11-9+
InChIKeyDJJWPNFUVRPAJK-RLFYPJPUSA-N
MW167.26 g/mol
LogP0.62
Rot. Bonds1

About 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine

1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine (PubChem CID 123550690) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine
PubChem CID123550690
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine
SMILESCC=C(C)/C(=N\C)N1CC(N)C1
InChIInChI=1S/C9H17N3/c1-4-7(2)9(11-3)12-5-8(10)6-12/h4,8H,5-6,10H2,1-3H3/b7-4?,11-9+
InChIKeyDJJWPNFUVRPAJK-RLFYPJPUSA-N
XLogP0.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
CID 123505707
(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide
CID 166764347
(Z)-2-methyl-N,N'-di(propan-2-yl)but-2-enimidamide
CID 133666079

Frequently Asked Questions

What is the IUPAC name of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine?
The IUPAC name of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine (CID 123550690) is 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine.
What is the SMILES notation for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine?
The canonical SMILES for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine is CC=C(C)/C(=N\C)N1CC(N)C1.
What is the InChIKey of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine?
The InChIKey is DJJWPNFUVRPAJK-RLFYPJPUSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-7(2)9(11-3)12-5-8(10)6-12/h4,8H,5-6,10H2,1-3H3/b7-4?,11-9+.
What are the key properties of 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine?
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine has a molecular weight of 167.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)azetidin-3-amine is sourced from PubChem (CID 123550690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).