N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

C16H24BrNO3 — CID 105016988

IUPACN-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24BrNO3/c1-2-7-18-15(13-3-4-14(17)21-13)12-5-8-20-16(10-12)6-9-19-11-16/h3-4,12,15,18H,2,5-11H2,1H3
InChIKeyKSCMETDCQNVGQN-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.67
Rot. Bonds5

About N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (PubChem CID 105016988) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
PubChem CID105016988
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC NameN-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H24BrNO3/c1-2-7-18-15(13-3-4-14(17)21-13)12-5-8-20-16(10-12)6-9-19-11-16/h3-4,12,15,18H,2,5-11H2,1H3
InChIKeyKSCMETDCQNVGQN-UHFFFAOYSA-N
XLogP3.67
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692712
[(5-bromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323283
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 82888518
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine (CID 105016988) is N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)o1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
The InChIKey is KSCMETDCQNVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-2-7-18-15(13-3-4-14(17)21-13)12-5-8-20-16(10-12)6-9-19-11-16/h3-4,12,15,18H,2,5-11H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine has a molecular weight of 358.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 105016988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).