2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol

C14H30N2O — CID 54993620

IUPAC2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)C1CCCCC1CN
InChIInChI=1S/C14H30N2O/c1-3-13(4-2)16(9-10-17)14-8-6-5-7-12(14)11-15/h12-14,17H,3-11,15H2,1-2H3
InChIKeyJVFXVVFCPZUECI-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds7

About 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol

2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol (PubChem CID 54993620) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol
PubChem CID54993620
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)C1CCCCC1CN
InChIInChI=1S/C14H30N2O/c1-3-13(4-2)16(9-10-17)14-8-6-5-7-12(14)11-15/h12-14,17H,3-11,15H2,1-2H3
InChIKeyJVFXVVFCPZUECI-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol (CID 54993620) is 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)C1CCCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol?
The InChIKey is JVFXVVFCPZUECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-13(4-2)16(9-10-17)14-8-6-5-7-12(14)11-15/h12-14,17H,3-11,15H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol?
2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 54993620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).