[1-(propan-2-ylamino)cyclododecyl]methanol

C16H33NO — CID 55198276

IUPAC[1-(propan-2-ylamino)cyclododecyl]methanol
SMILESCC(C)NC1(CO)CCCCCCCCCCC1
InChIInChI=1S/C16H33NO/c1-15(2)17-16(14-18)12-10-8-6-4-3-5-7-9-11-13-16/h15,17-18H,3-14H2,1-2H3
InChIKeyQXEKPBIWDVNRDB-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.02
Rot. Bonds3

About [1-(propan-2-ylamino)cyclododecyl]methanol

[1-(propan-2-ylamino)cyclododecyl]methanol (PubChem CID 55198276) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is [1-(propan-2-ylamino)cyclododecyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)cyclododecyl]methanol
PubChem CID55198276
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name[1-(propan-2-ylamino)cyclododecyl]methanol
SMILESCC(C)NC1(CO)CCCCCCCCCCC1
InChIInChI=1S/C16H33NO/c1-15(2)17-16(14-18)12-10-8-6-4-3-5-7-9-11-13-16/h15,17-18H,3-14H2,1-2H3
InChIKeyQXEKPBIWDVNRDB-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)cyclododecyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)cyclododecyl]methanol (CID 55198276) is [1-(propan-2-ylamino)cyclododecyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)cyclododecyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)cyclododecyl]methanol is CC(C)NC1(CO)CCCCCCCCCCC1.
What is the InChIKey of [1-(propan-2-ylamino)cyclododecyl]methanol?
The InChIKey is QXEKPBIWDVNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2)17-16(14-18)12-10-8-6-4-3-5-7-9-11-13-16/h15,17-18H,3-14H2,1-2H3.
What are the key properties of [1-(propan-2-ylamino)cyclododecyl]methanol?
[1-(propan-2-ylamino)cyclododecyl]methanol has a molecular weight of 255.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)cyclododecyl]methanol is sourced from PubChem (CID 55198276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).