3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol

C12H26N2O — CID 83176449

IUPAC3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
SMILESCC1CCCC(CN)(NC(C)CCO)C1
InChIInChI=1S/C12H26N2O/c1-10-4-3-6-12(8-10,9-13)14-11(2)5-7-15/h10-11,14-15H,3-9,13H2,1-2H3
InChIKeySALNJLCNGJGOOX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.25
Rot. Bonds5

About 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol

3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol (PubChem CID 83176449) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
PubChem CID83176449
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
SMILESCC1CCCC(CN)(NC(C)CCO)C1
InChIInChI=1S/C12H26N2O/c1-10-4-3-6-12(8-10,9-13)14-11(2)5-7-15/h10-11,14-15H,3-9,13H2,1-2H3
InChIKeySALNJLCNGJGOOX-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol?
The IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol (CID 83176449) is 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol?
The canonical SMILES for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol is CC1CCCC(CN)(NC(C)CCO)C1.
What is the InChIKey of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol?
The InChIKey is SALNJLCNGJGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-4-3-6-12(8-10,9-13)14-11(2)5-7-15/h10-11,14-15H,3-9,13H2,1-2H3.
What are the key properties of 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol?
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 83176449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).