1-(aminomethyl)cyclododecan-1-ol

C13H27NO — CID 533851

IUPAC1-(aminomethyl)cyclododecan-1-ol
SMILESNCC1(O)CCCCCCCCCCC1
InChIInChI=1S/C13H27NO/c14-12-13(15)10-8-6-4-2-1-3-5-7-9-11-13/h15H,1-12,14H2
InChIKeyXZZARAOELPUILE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.98
Rot. Bonds1

About 1-(aminomethyl)cyclododecan-1-ol

1-(aminomethyl)cyclododecan-1-ol (PubChem CID 533851) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(aminomethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)cyclododecan-1-ol
PubChem CID533851
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(aminomethyl)cyclododecan-1-ol
SMILESNCC1(O)CCCCCCCCCCC1
InChIInChI=1S/C13H27NO/c14-12-13(15)10-8-6-4-2-1-3-5-7-9-11-13/h15H,1-12,14H2
InChIKeyXZZARAOELPUILE-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclododecan-1-ol?
The IUPAC name of 1-(aminomethyl)cyclododecan-1-ol (CID 533851) is 1-(aminomethyl)cyclododecan-1-ol.
What is the SMILES notation for 1-(aminomethyl)cyclododecan-1-ol?
The canonical SMILES for 1-(aminomethyl)cyclododecan-1-ol is NCC1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-(aminomethyl)cyclododecan-1-ol?
The InChIKey is XZZARAOELPUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c14-12-13(15)10-8-6-4-2-1-3-5-7-9-11-13/h15H,1-12,14H2.
What are the key properties of 1-(aminomethyl)cyclododecan-1-ol?
1-(aminomethyl)cyclododecan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclododecan-1-ol is sourced from PubChem (CID 533851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).