butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium

C12H25N2O+ — CID 58692088

IUPACbutyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](C)(C)CCCC
InChIInChI=1S/C12H24N2O/c1-6-7-9-14(4,5)10-8-13-12(15)11(2)3/h2,6-10H2,1,3-5H3/p+1
InChIKeyKDVNMLMXDLIWNS-UHFFFAOYSA-O
MW213.34 g/mol
LogP1.56
Rot. Bonds7

About butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium

butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (PubChem CID 58692088) has the molecular formula C12H25N2O+ and a molecular weight of 213.34 g/mol. Its IUPAC name is butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Namebutyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
PubChem CID58692088
Molecular FormulaC12H25N2O+
Molecular Weight213.34 g/mol
Exact Mass213.20
IUPAC Namebutyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](C)(C)CCCC
InChIInChI=1S/C12H24N2O/c1-6-7-9-14(4,5)10-8-13-12(15)11(2)3/h2,6-10H2,1,3-5H3/p+1
InChIKeyKDVNMLMXDLIWNS-UHFFFAOYSA-O
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
N-(3-Aminopropyl) methacrylamide
CID 2734954
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 6453666

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The IUPAC name of butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (CID 58692088) is butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The canonical SMILES for butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is C=C(C)C(=O)NCC[N+](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The InChIKey is KDVNMLMXDLIWNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O/c1-6-7-9-14(4,5)10-8-13-12(15)11(2)3/h2,6-10H2,1,3-5H3/p+1.
What are the key properties of butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium has a molecular weight of 213.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is sourced from PubChem (CID 58692088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).