3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol

C7H16N2O — CID 90323042

IUPAC3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol
SMILESCCNC1(CN)CC(O)C1
InChIInChI=1S/C7H16N2O/c1-2-9-7(5-8)3-6(10)4-7/h6,9-10H,2-5,8H2,1H3
InChIKeyQMLXCOQGQLLQEN-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.55
Rot. Bonds3

About 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol

3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol (PubChem CID 90323042) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol
PubChem CID90323042
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol
SMILESCCNC1(CN)CC(O)C1
InChIInChI=1S/C7H16N2O/c1-2-9-7(5-8)3-6(10)4-7/h6,9-10H,2-5,8H2,1H3
InChIKeyQMLXCOQGQLLQEN-UHFFFAOYSA-N
XLogP-0.55
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol (CID 90323042) is 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol is CCNC1(CN)CC(O)C1.
What is the InChIKey of 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol?
The InChIKey is QMLXCOQGQLLQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-9-7(5-8)3-6(10)4-7/h6,9-10H,2-5,8H2,1H3.
What are the key properties of 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol?
3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(ethylamino)cyclobutan-1-ol is sourced from PubChem (CID 90323042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).