2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol

C17H35NO — CID 63470374

IUPAC2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
SMILESCCN(C(C)C)C1CCCCCCCCCCC1O
InChIInChI=1S/C17H35NO/c1-4-18(15(2)3)16-13-11-9-7-5-6-8-10-12-14-17(16)19/h15-17,19H,4-14H2,1-3H3
InChIKeyJREKDBANGZXDMD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.36
Rot. Bonds3

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

2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol (PubChem CID 63470374) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
PubChem CID63470374
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
SMILESCCN(C(C)C)C1CCCCCCCCCCC1O
InChIInChI=1S/C17H35NO/c1-4-18(15(2)3)16-13-11-9-7-5-6-8-10-12-14-17(16)19/h15-17,19H,4-14H2,1-3H3
InChIKeyJREKDBANGZXDMD-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol (CID 63470374) is 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol is CCN(C(C)C)C1CCCCCCCCCCC1O.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol?
The InChIKey is JREKDBANGZXDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-18(15(2)3)16-13-11-9-7-5-6-8-10-12-14-17(16)19/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol?
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol is sourced from PubChem (CID 63470374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).