N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine

C18H29NOS — CID 79898737

IUPACN-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCC(NC1CCOC2(CCCCC2)C1)c1cccs1
InChIInChI=1S/C18H29NOS/c1-2-7-16(17-8-6-13-21-17)19-15-9-12-20-18(14-15)10-4-3-5-11-18/h6,8,13,15-16,19H,2-5,7,9-12,14H2,1H3
InChIKeyYOEFQNGYMYNLBG-UHFFFAOYSA-N
MW307.50 g/mol
LogP5.06
Rot. Bonds5

About N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine

N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79898737) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79898737
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCC(NC1CCOC2(CCCCC2)C1)c1cccs1
InChIInChI=1S/C18H29NOS/c1-2-7-16(17-8-6-13-21-17)19-15-9-12-20-18(14-15)10-4-3-5-11-18/h6,8,13,15-16,19H,2-5,7,9-12,14H2,1H3
InChIKeyYOEFQNGYMYNLBG-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
N-(1-thiophen-2-ylbutyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895810
N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895590
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895882
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
[1-oxaspiro[5.5]undecan-4-yl(thiophen-2-yl)methyl]hydrazine
CID 105193759
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79898737) is N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine is CCCC(NC1CCOC2(CCCCC2)C1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is YOEFQNGYMYNLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-2-7-16(17-8-6-13-21-17)19-15-9-12-20-18(14-15)10-4-3-5-11-18/h6,8,13,15-16,19H,2-5,7,9-12,14H2,1H3.
What are the key properties of N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 307.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).