(Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine

C24H49N — CID 88888811

IUPAC(Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC[C@@H](C)CNCC
InChIInChI=1S/C24H49N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(3)23-25-5-2/h12-13,24-25H,4-11,14-23H2,1-3H3/b13-12-/t24-/m1/s1
InChIKeyXANAYYDEDNRJRG-JPFBCYGGSA-N
MW351.66 g/mol
LogP8.05
Rot. Bonds20

About (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine

(Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine (PubChem CID 88888811) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine.

Molecular Properties

Compound Name(Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine
PubChem CID88888811
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name(Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC[C@@H](C)CNCC
InChIInChI=1S/C24H49N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(3)23-25-5-2/h12-13,24-25H,4-11,14-23H2,1-3H3/b13-12-/t24-/m1/s1
InChIKeyXANAYYDEDNRJRG-JPFBCYGGSA-N
XLogP8.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine?
The IUPAC name of (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine (CID 88888811) is (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine.
What is the SMILES notation for (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine?
The canonical SMILES for (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine is CCCCCCCC/C=C\CCCCCCCCC[C@@H](C)CNCC.
What is the InChIKey of (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine?
The InChIKey is XANAYYDEDNRJRG-JPFBCYGGSA-N. The full InChI is InChI=1S/C24H49N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(3)23-25-5-2/h12-13,24-25H,4-11,14-23H2,1-3H3/b13-12-/t24-/m1/s1.
What are the key properties of (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine?
(Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine has a molecular weight of 351.66 g/mol, XLogP of 8.05, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-N-ethyl-2-methylhenicos-12-en-1-amine is sourced from PubChem (CID 88888811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).