2-cycloheptatriacontylethanamine

C39H79N — CID 70967764

IUPAC2-cycloheptatriacontylethanamine
SMILESNCCC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C39H79N/c40-38-37-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39/h39H,1-38,40H2
InChIKeyDMBABBBBQRJDPU-UHFFFAOYSA-N
MW562.07 g/mol
LogP14.01
Rot. Bonds2

About 2-cycloheptatriacontylethanamine

2-cycloheptatriacontylethanamine (PubChem CID 70967764) has the molecular formula C39H79N and a molecular weight of 562.07 g/mol. Its IUPAC name is 2-cycloheptatriacontylethanamine.

Molecular Properties

Compound Name2-cycloheptatriacontylethanamine
PubChem CID70967764
Molecular FormulaC39H79N
Molecular Weight562.07 g/mol
Exact Mass561.62
IUPAC Name2-cycloheptatriacontylethanamine
SMILESNCCC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C39H79N/c40-38-37-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39/h39H,1-38,40H2
InChIKeyDMBABBBBQRJDPU-UHFFFAOYSA-N
XLogP14.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.07
LogP ≤ 514.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-fluoroethylcyclodecane
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2-[(4E)-cyclooct-4-en-1-yl]ethanamine
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3-cyclohexadecylpropylcyclohexadecane
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4-cyclopentylbutylcyclohexane
CID 144547696
CID 173014800
CID 173014800
2-[(3R)-1-cyclohexylpiperidin-3-yl]ethanamine
CID 95308858
N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931
N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
cyclohexylmethanamine;hydrobromide
CID 13001131

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptatriacontylethanamine?
The IUPAC name of 2-cycloheptatriacontylethanamine (CID 70967764) is 2-cycloheptatriacontylethanamine.
What is the SMILES notation for 2-cycloheptatriacontylethanamine?
The canonical SMILES for 2-cycloheptatriacontylethanamine is NCCC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.
What is the InChIKey of 2-cycloheptatriacontylethanamine?
The InChIKey is DMBABBBBQRJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H79N/c40-38-37-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39/h39H,1-38,40H2.
What are the key properties of 2-cycloheptatriacontylethanamine?
2-cycloheptatriacontylethanamine has a molecular weight of 562.07 g/mol, XLogP of 14.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptatriacontylethanamine is sourced from PubChem (CID 70967764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).