dimethyl-propyl-(undec-2-enoylamino)azanium

C16H33N2O+ — CID 87602259

IUPACdimethyl-propyl-(undec-2-enoylamino)azanium
SMILESCCCCCCCCC=CC(=O)N[N+](C)(C)CCC
InChIInChI=1S/C16H32N2O/c1-5-7-8-9-10-11-12-13-14-16(19)17-18(3,4)15-6-2/h13-14H,5-12,15H2,1-4H3/p+1
InChIKeyGUJJNNKXQJVXKX-UHFFFAOYSA-O
MW269.45 g/mol
LogP3.81
Rot. Bonds11

About dimethyl-propyl-(undec-2-enoylamino)azanium

dimethyl-propyl-(undec-2-enoylamino)azanium (PubChem CID 87602259) has the molecular formula C16H33N2O+ and a molecular weight of 269.45 g/mol. Its IUPAC name is dimethyl-propyl-(undec-2-enoylamino)azanium.

Molecular Properties

Compound Namedimethyl-propyl-(undec-2-enoylamino)azanium
PubChem CID87602259
Molecular FormulaC16H33N2O+
Molecular Weight269.45 g/mol
Exact Mass269.26
IUPAC Namedimethyl-propyl-(undec-2-enoylamino)azanium
SMILESCCCCCCCCC=CC(=O)N[N+](C)(C)CCC
InChIInChI=1S/C16H32N2O/c1-5-7-8-9-10-11-12-13-14-16(19)17-18(3,4)15-6-2/h13-14H,5-12,15H2,1-4H3/p+1
InChIKeyGUJJNNKXQJVXKX-UHFFFAOYSA-O
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of dimethyl-propyl-(undec-2-enoylamino)azanium?
The IUPAC name of dimethyl-propyl-(undec-2-enoylamino)azanium (CID 87602259) is dimethyl-propyl-(undec-2-enoylamino)azanium.
What is the SMILES notation for dimethyl-propyl-(undec-2-enoylamino)azanium?
The canonical SMILES for dimethyl-propyl-(undec-2-enoylamino)azanium is CCCCCCCCC=CC(=O)N[N+](C)(C)CCC.
What is the InChIKey of dimethyl-propyl-(undec-2-enoylamino)azanium?
The InChIKey is GUJJNNKXQJVXKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H32N2O/c1-5-7-8-9-10-11-12-13-14-16(19)17-18(3,4)15-6-2/h13-14H,5-12,15H2,1-4H3/p+1.
What are the key properties of dimethyl-propyl-(undec-2-enoylamino)azanium?
dimethyl-propyl-(undec-2-enoylamino)azanium has a molecular weight of 269.45 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propyl-(undec-2-enoylamino)azanium is sourced from PubChem (CID 87602259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).