(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide

C12H26N4 — CID 166764347

IUPAC(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide
SMILESCCCN(C)CCNC(=N\C)/C(C)=C\CN
InChIInChI=1S/C12H26N4/c1-5-9-16(4)10-8-15-12(14-3)11(2)6-7-13/h6H,5,7-10,13H2,1-4H3,(H,14,15)/b11-6-
InChIKeyAZMPKAKFXRGBGS-WDZFZDKYSA-N
MW226.37 g/mol
LogP0.85
Rot. Bonds7

About (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide

(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide (PubChem CID 166764347) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide
PubChem CID166764347
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide
SMILESCCCN(C)CCNC(=N\C)/C(C)=C\CN
InChIInChI=1S/C12H26N4/c1-5-9-16(4)10-8-15-12(14-3)11(2)6-7-13/h6H,5,7-10,13H2,1-4H3,(H,14,15)/b11-6-
InChIKeyAZMPKAKFXRGBGS-WDZFZDKYSA-N
XLogP0.85
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

CID 19746927
CID 19746927
CID 89577017
CID 89577017
CID 89989454
CID 89989454
CID 118972865
CID 118972865
CID 118973189
CID 118973189
CID 118973463
CID 118973463
CID 123259895
CID 123259895
CID 123550690
CID 123550690
CID 123564371
CID 123564371
CID 123596120
CID 123596120
CID 123616674
CID 123616674
CID 142398174
CID 142398174

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide?
The IUPAC name of (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide (CID 166764347) is (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide.
What is the SMILES notation for (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide?
The canonical SMILES for (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide is CCCN(C)CCNC(=N\C)/C(C)=C\CN.
What is the InChIKey of (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide?
The InChIKey is AZMPKAKFXRGBGS-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-9-16(4)10-8-15-12(14-3)11(2)6-7-13/h6H,5,7-10,13H2,1-4H3,(H,14,15)/b11-6-.
What are the key properties of (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide?
(Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N',2-dimethyl-N-[2-[methyl(propyl)amino]ethyl]but-2-enimidamide is sourced from PubChem (CID 166764347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).