methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium

C17H35N2O+ — CID 143837679

IUPACmethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium
SMILESC=CC[NH+](C)CCCN(C)C(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-9-11-18(7)12-10-13-19(8)15(20)17(5,6)14-16(2,3)4/h9H,1,10-14H2,2-8H3/p+1
InChIKeySYGLIDWFNZCUNI-UHFFFAOYSA-O
MW283.48 g/mol
LogP2.00
Rot. Bonds8

About methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium

methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium (PubChem CID 143837679) has the molecular formula C17H35N2O+ and a molecular weight of 283.48 g/mol. Its IUPAC name is methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium.

Molecular Properties

Compound Namemethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium
PubChem CID143837679
Molecular FormulaC17H35N2O+
Molecular Weight283.48 g/mol
Exact Mass283.27
IUPAC Namemethyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium
SMILESC=CC[NH+](C)CCCN(C)C(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-9-11-18(7)12-10-13-19(8)15(20)17(5,6)14-16(2,3)4/h9H,1,10-14H2,2-8H3/p+1
InChIKeySYGLIDWFNZCUNI-UHFFFAOYSA-O
XLogP2.00
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium?
The IUPAC name of methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium (CID 143837679) is methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium.
What is the SMILES notation for methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium?
The canonical SMILES for methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium is C=CC[NH+](C)CCCN(C)C(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium?
The InChIKey is SYGLIDWFNZCUNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H34N2O/c1-9-11-18(7)12-10-13-19(8)15(20)17(5,6)14-16(2,3)4/h9H,1,10-14H2,2-8H3/p+1.
What are the key properties of methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium?
methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium has a molecular weight of 283.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[methyl(2,2,4,4-tetramethylpentanoyl)amino]propyl]-prop-2-enylazanium is sourced from PubChem (CID 143837679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).