2-[butyl(cyclopropyl)amino]cyclododecan-1-ol

C19H37NO — CID 63472104

IUPAC2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
SMILESCCCCN(C1CC1)C1CCCCCCCCCCC1O
InChIInChI=1S/C19H37NO/c1-2-3-16-20(17-14-15-17)18-12-10-8-6-4-5-7-9-11-13-19(18)21/h17-19,21H,2-16H2,1H3
InChIKeyJTATZMFYVIAYNY-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.89
Rot. Bonds5

About 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol

2-[butyl(cyclopropyl)amino]cyclododecan-1-ol (PubChem CID 63472104) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
PubChem CID63472104
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
SMILESCCCCN(C1CC1)C1CCCCCCCCCCC1O
InChIInChI=1S/C19H37NO/c1-2-3-16-20(17-14-15-17)18-12-10-8-6-4-5-7-9-11-13-19(18)21/h17-19,21H,2-16H2,1H3
InChIKeyJTATZMFYVIAYNY-UHFFFAOYSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol?
The IUPAC name of 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol (CID 63472104) is 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol is CCCCN(C1CC1)C1CCCCCCCCCCC1O.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol?
The InChIKey is JTATZMFYVIAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-2-3-16-20(17-14-15-17)18-12-10-8-6-4-5-7-9-11-13-19(18)21/h17-19,21H,2-16H2,1H3.
What are the key properties of 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol?
2-[butyl(cyclopropyl)amino]cyclododecan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]cyclododecan-1-ol is sourced from PubChem (CID 63472104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).