2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol

C13H26N2O — CID 104963641

IUPAC2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CCC(CN)CC1
InChIInChI=1S/C13H26N2O/c1-2-7-15(8-9-16)11-13-5-3-12(10-14)4-6-13/h2,12-13,16H,1,3-11,14H2
InChIKeyUTDAOVXFRCFYBP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.23
Rot. Bonds7

About 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol

2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol (PubChem CID 104963641) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol
PubChem CID104963641
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CC1CCC(CN)CC1
InChIInChI=1S/C13H26N2O/c1-2-7-15(8-9-16)11-13-5-3-12(10-14)4-6-13/h2,12-13,16H,1,3-11,14H2
InChIKeyUTDAOVXFRCFYBP-UHFFFAOYSA-N
XLogP1.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol (CID 104963641) is 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol is C=CCN(CCO)CC1CCC(CN)CC1.
What is the InChIKey of 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol?
The InChIKey is UTDAOVXFRCFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-7-15(8-9-16)11-13-5-3-12(10-14)4-6-13/h2,12-13,16H,1,3-11,14H2.
What are the key properties of 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol?
2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)cyclohexyl]methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 104963641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).