dimethyl-(2-methylbut-2-enoylamino)-propylazanium

C10H21N2O+ — CID 173395662

IUPACdimethyl-(2-methylbut-2-enoylamino)-propylazanium
SMILESCC=C(C)C(=O)N[N+](C)(C)CCC
InChIInChI=1S/C10H20N2O/c1-6-8-12(4,5)11-10(13)9(3)7-2/h7H,6,8H2,1-5H3/p+1
InChIKeyKAXOIZKSVJIMCW-UHFFFAOYSA-O
MW185.29 g/mol
LogP1.47
Rot. Bonds4

About dimethyl-(2-methylbut-2-enoylamino)-propylazanium

dimethyl-(2-methylbut-2-enoylamino)-propylazanium (PubChem CID 173395662) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is dimethyl-(2-methylbut-2-enoylamino)-propylazanium.

Molecular Properties

Compound Namedimethyl-(2-methylbut-2-enoylamino)-propylazanium
PubChem CID173395662
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Namedimethyl-(2-methylbut-2-enoylamino)-propylazanium
SMILESCC=C(C)C(=O)N[N+](C)(C)CCC
InChIInChI=1S/C10H20N2O/c1-6-8-12(4,5)11-10(13)9(3)7-2/h7H,6,8H2,1-5H3/p+1
InChIKeyKAXOIZKSVJIMCW-UHFFFAOYSA-O
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
(dodecanoylamino)-dimethyl-propylazanium chloride
CID 175462059
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
dimethyl-[[(Z)-octadec-9-enoyl]amino]-propylazanium
CID 87094383
[[(Z)-docos-13-enoyl]amino]-dimethyl-propylazanium acetate
CID 87930887
(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide
CID 143664915
acetamido-hexadecyl-dimethylazanium
CID 154504461
(Z)-N-hydroxy-2-methylbut-2-enamide
CID 123446935
(Z)-N-butoxy-2-methylbut-2-enamide
CID 89103955
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
dimethyl-(3-phenylprop-2-enoylamino)-propylazanium chloride
CID 67711208
dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide
CID 87673706

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylbut-2-enoylamino)-propylazanium?
The IUPAC name of dimethyl-(2-methylbut-2-enoylamino)-propylazanium (CID 173395662) is dimethyl-(2-methylbut-2-enoylamino)-propylazanium.
What is the SMILES notation for dimethyl-(2-methylbut-2-enoylamino)-propylazanium?
The canonical SMILES for dimethyl-(2-methylbut-2-enoylamino)-propylazanium is CC=C(C)C(=O)N[N+](C)(C)CCC.
What is the InChIKey of dimethyl-(2-methylbut-2-enoylamino)-propylazanium?
The InChIKey is KAXOIZKSVJIMCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-6-8-12(4,5)11-10(13)9(3)7-2/h7H,6,8H2,1-5H3/p+1.
What are the key properties of dimethyl-(2-methylbut-2-enoylamino)-propylazanium?
dimethyl-(2-methylbut-2-enoylamino)-propylazanium has a molecular weight of 185.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylbut-2-enoylamino)-propylazanium is sourced from PubChem (CID 173395662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).