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

C10H22N2O — CID 103563118

IUPAC3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol
SMILESCC1CC(CN)(NC(C)CCO)C1
InChIInChI=1S/C10H22N2O/c1-8-5-10(6-8,7-11)12-9(2)3-4-13/h8-9,12-13H,3-7,11H2,1-2H3
InChIKeyMMNMDQXOHUNFNG-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.47
Rot. Bonds5

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

3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol (PubChem CID 103563118) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol
PubChem CID103563118
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol
SMILESCC1CC(CN)(NC(C)CCO)C1
InChIInChI=1S/C10H22N2O/c1-8-5-10(6-8,7-11)12-9(2)3-4-13/h8-9,12-13H,3-7,11H2,1-2H3
InChIKeyMMNMDQXOHUNFNG-UHFFFAOYSA-N
XLogP0.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.47
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-methylcyclobutyl]amino]butan-1-ol?
The IUPAC name of 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol (CID 103563118) is 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol?
The canonical SMILES for 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol is CC1CC(CN)(NC(C)CCO)C1.
What is the InChIKey of 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol?
The InChIKey is MMNMDQXOHUNFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-5-10(6-8,7-11)12-9(2)3-4-13/h8-9,12-13H,3-7,11H2,1-2H3.
What are the key properties of 3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol?
3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.47, 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-methylcyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 103563118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).