[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol

C13H25NO2 — CID 115929608

IUPAC[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol
SMILESCCC1(CC)C(NC2(CO)CC2)CC1OC
InChIInChI=1S/C13H25NO2/c1-4-13(5-2)10(8-11(13)16-3)14-12(9-15)6-7-12/h10-11,14-15H,4-9H2,1-3H3
InChIKeyBNTOGRWOCSDMNA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.69
Rot. Bonds6

About [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol

[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol (PubChem CID 115929608) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol
PubChem CID115929608
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol
SMILESCCC1(CC)C(NC2(CO)CC2)CC1OC
InChIInChI=1S/C13H25NO2/c1-4-13(5-2)10(8-11(13)16-3)14-12(9-15)6-7-12/h10-11,14-15H,4-9H2,1-3H3
InChIKeyBNTOGRWOCSDMNA-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol (CID 115929608) is [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol is CCC1(CC)C(NC2(CO)CC2)CC1OC.
What is the InChIKey of [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol?
The InChIKey is BNTOGRWOCSDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-13(5-2)10(8-11(13)16-3)14-12(9-15)6-7-12/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol?
[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol is sourced from PubChem (CID 115929608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).