N,N-dimethyl-11-pentylhenicosan-11-amine

C28H59N — CID 175528933

IUPACN,N-dimethyl-11-pentylhenicosan-11-amine
SMILESCCCCCCCCCCC(CCCCC)(CCCCCCCCCC)N(C)C
InChIInChI=1S/C28H59N/c1-6-9-12-14-16-18-20-23-26-28(29(4)5,25-22-11-8-3)27-24-21-19-17-15-13-10-7-2/h6-27H2,1-5H3
InChIKeyZYKOXDZOCFNXSE-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.93
Rot. Bonds23

About N,N-dimethyl-11-pentylhenicosan-11-amine

N,N-dimethyl-11-pentylhenicosan-11-amine (PubChem CID 175528933) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is N,N-dimethyl-11-pentylhenicosan-11-amine.

Molecular Properties

Compound NameN,N-dimethyl-11-pentylhenicosan-11-amine
PubChem CID175528933
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC NameN,N-dimethyl-11-pentylhenicosan-11-amine
SMILESCCCCCCCCCCC(CCCCC)(CCCCCCCCCC)N(C)C
InChIInChI=1S/C28H59N/c1-6-9-12-14-16-18-20-23-26-28(29(4)5,25-22-11-8-3)27-24-21-19-17-15-13-10-7-2/h6-27H2,1-5H3
InChIKeyZYKOXDZOCFNXSE-UHFFFAOYSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
CID 173284262
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CID 57269512
21-nonyl-N,N-dipropylhentetracontan-21-amine
CID 155011902
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
1,1-dichloro-N,N-dimethyloctan-1-amine
CID 175456302
2-(dimethylamino)-2-octadecylicosanoic acid
CID 141120188
N,N,3-triethyldodecan-3-amine
CID 150961559
N,N-dimethylmethanamine;tridecane
CID 174432259
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-11-pentylhenicosan-11-amine?
The IUPAC name of N,N-dimethyl-11-pentylhenicosan-11-amine (CID 175528933) is N,N-dimethyl-11-pentylhenicosan-11-amine.
What is the SMILES notation for N,N-dimethyl-11-pentylhenicosan-11-amine?
The canonical SMILES for N,N-dimethyl-11-pentylhenicosan-11-amine is CCCCCCCCCCC(CCCCC)(CCCCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-11-pentylhenicosan-11-amine?
The InChIKey is ZYKOXDZOCFNXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-6-9-12-14-16-18-20-23-26-28(29(4)5,25-22-11-8-3)27-24-21-19-17-15-13-10-7-2/h6-27H2,1-5H3.
What are the key properties of N,N-dimethyl-11-pentylhenicosan-11-amine?
N,N-dimethyl-11-pentylhenicosan-11-amine has a molecular weight of 409.79 g/mol, XLogP of 9.93, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-11-pentylhenicosan-11-amine is sourced from PubChem (CID 175528933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).