N-[3-(butylamino)propyl]-2-methylprop-2-enamide

C11H22N2O — CID 18369797

IUPACN-[3-(butylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNCCCC
InChIInChI=1S/C11H22N2O/c1-4-5-7-12-8-6-9-13-11(14)10(2)3/h12H,2,4-9H2,1,3H3,(H,13,14)
InChIKeyCSZXWMMFSSNLQA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.46
Rot. Bonds8

About N-[3-(butylamino)propyl]-2-methylprop-2-enamide

N-[3-(butylamino)propyl]-2-methylprop-2-enamide (PubChem CID 18369797) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[3-(butylamino)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(butylamino)propyl]-2-methylprop-2-enamide
PubChem CID18369797
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[3-(butylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNCCCC
InChIInChI=1S/C11H22N2O/c1-4-5-7-12-8-6-9-13-11(14)10(2)3/h12H,2,4-9H2,1,3H3,(H,13,14)
InChIKeyCSZXWMMFSSNLQA-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-Isopropylmethacrylamide
CID 83698
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(butylamino)propyl]-2-methylprop-2-enamide (CID 18369797) is N-[3-(butylamino)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(butylamino)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(butylamino)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCNCCCC.
What is the InChIKey of N-[3-(butylamino)propyl]-2-methylprop-2-enamide?
The InChIKey is CSZXWMMFSSNLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-7-12-8-6-9-13-11(14)10(2)3/h12H,2,4-9H2,1,3H3,(H,13,14).
What are the key properties of N-[3-(butylamino)propyl]-2-methylprop-2-enamide?
N-[3-(butylamino)propyl]-2-methylprop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18369797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).