methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide

C10H22IN3O2 — CID 111097464

IUPACmethyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
SMILESCOC(=O)C(C)CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C10H21N3O2.HI/c1-8(9(14)15-6)7-11-10(12(2)3)13(4)5;/h8H,7H2,1-6H3;1H
InChIKeyAMFSMPGHASPIGF-UHFFFAOYSA-N
MW343.21 g/mol
LogP0.89
Rot. Bonds3

About methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide

methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide (PubChem CID 111097464) has the molecular formula C10H22IN3O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide.

Molecular Properties

Compound Namemethyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
PubChem CID111097464
Molecular FormulaC10H22IN3O2
Molecular Weight343.21 g/mol
Exact Mass343.08
IUPAC Namemethyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
SMILESCOC(=O)C(C)CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C10H21N3O2.HI/c1-8(9(14)15-6)7-11-10(12(2)3)13(4)5;/h8H,7H2,1-6H3;1H
InChIKeyAMFSMPGHASPIGF-UHFFFAOYSA-N
XLogP0.89
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[bis(ethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
CID 110930532
methyl 3-[[(tert-butylamino)-(ethylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 110966455
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl 3-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 110956293
methyl 3-[[[[3-(diethylamino)-3-oxopropyl]amino]-(ethylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111941972
methyl 3-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111896794
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
methyl 3-[[ethylamino-[methyl-[(2-methylphenyl)methyl]amino]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111287108
3-[bis(dimethylamino)methylideneamino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043505
methyl 7-[bis(dimethylamino)methylideneamino]heptanoate;hydroiodide
CID 111040562

Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide?
The IUPAC name of methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide (CID 111097464) is methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide.
What is the SMILES notation for methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide?
The canonical SMILES for methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide is COC(=O)C(C)CN=C(N(C)C)N(C)C.I.
What is the InChIKey of methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide?
The InChIKey is AMFSMPGHASPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.HI/c1-8(9(14)15-6)7-11-10(12(2)3)13(4)5;/h8H,7H2,1-6H3;1H.
What are the key properties of methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide?
methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide has a molecular weight of 343.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(dimethylamino)methylideneamino]-2-methylpropanoate;hydroiodide is sourced from PubChem (CID 111097464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).