2-dodecylhexadecan-1-amine

C28H59N — CID 23048605

IUPAC2-dodecylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CN)CCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28H,3-27,29H2,1-2H3
InChIKeyODDAUMKIYUWJHC-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.96
Rot. Bonds25

About 2-dodecylhexadecan-1-amine

2-dodecylhexadecan-1-amine (PubChem CID 23048605) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is 2-dodecylhexadecan-1-amine.

Molecular Properties

Compound Name2-dodecylhexadecan-1-amine
PubChem CID23048605
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC Name2-dodecylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCC(CN)CCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28H,3-27,29H2,1-2H3
InChIKeyODDAUMKIYUWJHC-UHFFFAOYSA-N
XLogP9.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hexyldecan-1-amine
CID 129368307
2-hexyloctadecan-1-amine
CID 87546751
2-propylheptan-1-amine
CID 21267775
2-butylhexan-1-amine
CID 54041151
2-(fluoromethyl)henicosan-1-amine
CID 175054402
2-(2-methylpropyl)decan-1-amine
CID 63498111
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
13-pentylheptacosane
CID 91387927

Frequently Asked Questions

What is the IUPAC name of 2-dodecylhexadecan-1-amine?
The IUPAC name of 2-dodecylhexadecan-1-amine (CID 23048605) is 2-dodecylhexadecan-1-amine.
What is the SMILES notation for 2-dodecylhexadecan-1-amine?
The canonical SMILES for 2-dodecylhexadecan-1-amine is CCCCCCCCCCCCCCC(CN)CCCCCCCCCCCC.
What is the InChIKey of 2-dodecylhexadecan-1-amine?
The InChIKey is ODDAUMKIYUWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28H,3-27,29H2,1-2H3.
What are the key properties of 2-dodecylhexadecan-1-amine?
2-dodecylhexadecan-1-amine has a molecular weight of 409.79 g/mol, XLogP of 9.96, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylhexadecan-1-amine is sourced from PubChem (CID 23048605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).