[3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol

C15H27NO — CID 68765140

IUPAC[3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol
SMILESOCC1CC(NCCC2(CC3CCC3)CC2)C1
InChIInChI=1S/C15H27NO/c17-11-13-8-14(9-13)16-7-6-15(4-5-15)10-12-2-1-3-12/h12-14,16-17H,1-11H2
InChIKeyXUMLYLYXSVCCLM-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.71
Rot. Bonds7

About [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol

[3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol (PubChem CID 68765140) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol
PubChem CID68765140
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol
SMILESOCC1CC(NCCC2(CC3CCC3)CC2)C1
InChIInChI=1S/C15H27NO/c17-11-13-8-14(9-13)16-7-6-15(4-5-15)10-12-2-1-3-12/h12-14,16-17H,1-11H2
InChIKeyXUMLYLYXSVCCLM-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol?
The IUPAC name of [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol (CID 68765140) is [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol.
What is the SMILES notation for [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol?
The canonical SMILES for [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol is OCC1CC(NCCC2(CC3CCC3)CC2)C1.
What is the InChIKey of [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol?
The InChIKey is XUMLYLYXSVCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-11-13-8-14(9-13)16-7-6-15(4-5-15)10-12-2-1-3-12/h12-14,16-17H,1-11H2.
What are the key properties of [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol?
[3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol has a molecular weight of 237.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[1-(cyclobutylmethyl)cyclopropyl]ethylamino]cyclobutyl]methanol is sourced from PubChem (CID 68765140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).