dimethylamino propanimidate

C5H12N2O — CID 102398349

IUPACdimethylamino propanimidate
SMILES[H]/N=C(\CC)ON(C)C
InChIInChI=1S/C5H12N2O/c1-4-5(6)8-7(2)3/h6H,4H2,1-3H3/b6-5+
InChIKeyCOEZSGSEGRCMIG-AATRIKPKSA-N
MW116.16 g/mol
LogP0.87
Rot. Bonds2

About dimethylamino propanimidate

dimethylamino propanimidate (PubChem CID 102398349) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is dimethylamino propanimidate.

Molecular Properties

Compound Namedimethylamino propanimidate
PubChem CID102398349
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Namedimethylamino propanimidate
SMILES[H]/N=C(\CC)ON(C)C
InChIInChI=1S/C5H12N2O/c1-4-5(6)8-7(2)3/h6H,4H2,1-3H3/b6-5+
InChIKeyCOEZSGSEGRCMIG-AATRIKPKSA-N
XLogP0.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-imino-2-propanimidoyloxyacetic acid
CID 91076826
hexyl propanimidate
CID 148667462
tetradecyl propanimidate;hydrobromide
CID 173155619
[(E)-3-oxobutan-2-ylideneamino] propanimidate
CID 11763670
N-amino-N-methylpropanimidamide
CID 123454598
dodecan-2-yl propanimidate
CID 172567019
N-carbamoyl-2-propanimidoyloxyacetonitrilium
CID 87090102
N-methyl-N-propylpropanimidamide
CID 63176074
ethyl 2-propylsulfanylethanimidate
CID 65128997
(N,N-dimethylcarbamimidoyl)-ethyl-dimethylazanium;trifluoromethanesulfonate
CID 160616399
butanimidoyl 4-(dimethylamino)benzoate
CID 138651080
difluoromethylsulfanyl butanimidate
CID 54074239

Frequently Asked Questions

What is the IUPAC name of dimethylamino propanimidate?
The IUPAC name of dimethylamino propanimidate (CID 102398349) is dimethylamino propanimidate.
What is the SMILES notation for dimethylamino propanimidate?
The canonical SMILES for dimethylamino propanimidate is [H]/N=C(\CC)ON(C)C.
What is the InChIKey of dimethylamino propanimidate?
The InChIKey is COEZSGSEGRCMIG-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-5(6)8-7(2)3/h6H,4H2,1-3H3/b6-5+.
What are the key properties of dimethylamino propanimidate?
dimethylamino propanimidate has a molecular weight of 116.16 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino propanimidate is sourced from PubChem (CID 102398349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).