3-(aminomethyl)cyclododecan-1-ol

C13H27NO — CID 78065119

IUPAC3-(aminomethyl)cyclododecan-1-ol
SMILESNCC1CCCCCCCCCC(O)C1
InChIInChI=1S/C13H27NO/c14-11-12-8-6-4-2-1-3-5-7-9-13(15)10-12/h12-13,15H,1-11,14H2
InChIKeyBRFSTIDUQSNGAK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.84
Rot. Bonds1

About 3-(aminomethyl)cyclododecan-1-ol

3-(aminomethyl)cyclododecan-1-ol (PubChem CID 78065119) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(aminomethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)cyclododecan-1-ol
PubChem CID78065119
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(aminomethyl)cyclododecan-1-ol
SMILESNCC1CCCCCCCCCC(O)C1
InChIInChI=1S/C13H27NO/c14-11-12-8-6-4-2-1-3-5-7-9-13(15)10-12/h12-13,15H,1-11,14H2
InChIKeyBRFSTIDUQSNGAK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclododecan-1-ol?
The IUPAC name of 3-(aminomethyl)cyclododecan-1-ol (CID 78065119) is 3-(aminomethyl)cyclododecan-1-ol.
What is the SMILES notation for 3-(aminomethyl)cyclododecan-1-ol?
The canonical SMILES for 3-(aminomethyl)cyclododecan-1-ol is NCC1CCCCCCCCCC(O)C1.
What is the InChIKey of 3-(aminomethyl)cyclododecan-1-ol?
The InChIKey is BRFSTIDUQSNGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c14-11-12-8-6-4-2-1-3-5-7-9-13(15)10-12/h12-13,15H,1-11,14H2.
What are the key properties of 3-(aminomethyl)cyclododecan-1-ol?
3-(aminomethyl)cyclododecan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclododecan-1-ol is sourced from PubChem (CID 78065119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).