3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol

C16H29NO3 — CID 102858387

IUPAC3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
SMILESOCCCN(C1CCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO3/c18-9-2-8-17(14-3-1-4-14)15-5-10-20-16(13-15)6-11-19-12-7-16/h14-15,18H,1-13H2
InChIKeyYFBCMTAZBIIHDA-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.95
Rot. Bonds5

About 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol

3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol (PubChem CID 102858387) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
PubChem CID102858387
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
SMILESOCCCN(C1CCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO3/c18-9-2-8-17(14-3-1-4-14)15-5-10-20-16(13-15)6-11-19-12-7-16/h14-15,18H,1-13H2
InChIKeyYFBCMTAZBIIHDA-UHFFFAOYSA-N
XLogP1.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

N'-cyclopropyl-N'-(2,6-dioxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897518
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
N'-cyclobutyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 102875329
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79909780
3-(dicyclopropylamino)propan-1-ol
CID 146482071
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79905989

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol (CID 102858387) is 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol is OCCCN(C1CCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol?
The InChIKey is YFBCMTAZBIIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-9-2-8-17(14-3-1-4-14)15-5-10-20-16(13-15)6-11-19-12-7-16/h14-15,18H,1-13H2.
What are the key properties of 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol?
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 102858387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).