pentadecan-4-amine;N,N,2-trimethylprop-2-enamide

C21H44N2O — CID 87882599

IUPACpentadecan-4-amine;N,N,2-trimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C.CCCCCCCCCCCC(N)CCC
InChIInChI=1S/C15H33N.C6H11NO/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2;1-5(2)6(8)7(3)4/h15H,3-14,16H2,1-2H3;1H2,2-4H3
InChIKeyAHRKOEICELZUPN-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.69
Rot. Bonds13

About pentadecan-4-amine;N,N,2-trimethylprop-2-enamide

pentadecan-4-amine;N,N,2-trimethylprop-2-enamide (PubChem CID 87882599) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is pentadecan-4-amine;N,N,2-trimethylprop-2-enamide.

Molecular Properties

Compound Namepentadecan-4-amine;N,N,2-trimethylprop-2-enamide
PubChem CID87882599
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Namepentadecan-4-amine;N,N,2-trimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C.CCCCCCCCCCCC(N)CCC
InChIInChI=1S/C15H33N.C6H11NO/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2;1-5(2)6(8)7(3)4/h15H,3-14,16H2,1-2H3;1H2,2-4H3
InChIKeyAHRKOEICELZUPN-UHFFFAOYSA-N
XLogP5.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
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

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nonan-4-amine;hydrochloride
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heptadecan-4-amine;hydrochloride
CID 173248342
pentacosan-7-amine
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nonapentacontan-30-amine
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bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
CID 175364016
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
acetic acid;decan-3-amine
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CID 79185360

Frequently Asked Questions

What is the IUPAC name of pentadecan-4-amine;N,N,2-trimethylprop-2-enamide?
The IUPAC name of pentadecan-4-amine;N,N,2-trimethylprop-2-enamide (CID 87882599) is pentadecan-4-amine;N,N,2-trimethylprop-2-enamide.
What is the SMILES notation for pentadecan-4-amine;N,N,2-trimethylprop-2-enamide?
The canonical SMILES for pentadecan-4-amine;N,N,2-trimethylprop-2-enamide is C=C(C)C(=O)N(C)C.CCCCCCCCCCCC(N)CCC.
What is the InChIKey of pentadecan-4-amine;N,N,2-trimethylprop-2-enamide?
The InChIKey is AHRKOEICELZUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.C6H11NO/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2;1-5(2)6(8)7(3)4/h15H,3-14,16H2,1-2H3;1H2,2-4H3.
What are the key properties of pentadecan-4-amine;N,N,2-trimethylprop-2-enamide?
pentadecan-4-amine;N,N,2-trimethylprop-2-enamide has a molecular weight of 340.60 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-4-amine;N,N,2-trimethylprop-2-enamide is sourced from PubChem (CID 87882599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).