2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol

C18H37NO — CID 63472662

IUPAC2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
SMILESCCN(CC(C)C)C1CCCCCCCCCCC1O
InChIInChI=1S/C18H37NO/c1-4-19(15-16(2)3)17-13-11-9-7-5-6-8-10-12-14-18(17)20/h16-18,20H,4-15H2,1-3H3
InChIKeyQXZBLMRUPNLGAF-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.61
Rot. Bonds4

About 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol

2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol (PubChem CID 63472662) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
PubChem CID63472662
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
SMILESCCN(CC(C)C)C1CCCCCCCCCCC1O
InChIInChI=1S/C18H37NO/c1-4-19(15-16(2)3)17-13-11-9-7-5-6-8-10-12-14-18(17)20/h16-18,20H,4-15H2,1-3H3
InChIKeyQXZBLMRUPNLGAF-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol (CID 63472662) is 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol is CCN(CC(C)C)C1CCCCCCCCCCC1O.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol?
The InChIKey is QXZBLMRUPNLGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-19(15-16(2)3)17-13-11-9-7-5-6-8-10-12-14-18(17)20/h16-18,20H,4-15H2,1-3H3.
What are the key properties of 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol?
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol is sourced from PubChem (CID 63472662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).