N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

C16H24BrNOS — CID 106046991

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESBrc1ccc(CCNC2CCOC3(CCCCC3)C2)s1
InChIInChI=1S/C16H24BrNOS/c17-15-5-4-14(20-15)6-10-18-13-7-11-19-16(12-13)8-2-1-3-9-16/h4-5,13,18H,1-3,6-12H2
InChIKeyNFUMVFDASANCGZ-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.52
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 106046991) has the molecular formula C16H24BrNOS and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID106046991
Molecular FormulaC16H24BrNOS
Molecular Weight358.35 g/mol
Exact Mass357.08
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESBrc1ccc(CCNC2CCOC3(CCCCC3)C2)s1
InChIInChI=1S/C16H24BrNOS/c17-15-5-4-14(20-15)6-10-18-13-7-11-19-16(12-13)8-2-1-3-9-16/h4-5,13,18H,1-3,6-12H2
InChIKeyNFUMVFDASANCGZ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106046098
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70727079
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 106043015
N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
CID 115882068
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 106046991) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is Brc1ccc(CCNC2CCOC3(CCCCC3)C2)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is NFUMVFDASANCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNOS/c17-15-5-4-14(20-15)6-10-18-13-7-11-19-16(12-13)8-2-1-3-9-16/h4-5,13,18H,1-3,6-12H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 358.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 106046991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).