N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine

C17H28BrNO2 — CID 116769675

IUPACN-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1occc1Br)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H28BrNO2/c1-5-11-19-15(14-13(18)6-12-21-14)17(20-4)9-7-16(2,3)8-10-17/h6,12,15,19H,5,7-11H2,1-4H3
InChIKeyYGHKHUVGTFYAKS-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.07
Rot. Bonds6

About N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine

N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine (PubChem CID 116769675) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
PubChem CID116769675
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC NameN-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1occc1Br)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H28BrNO2/c1-5-11-19-15(14-13(18)6-12-21-14)17(20-4)9-7-16(2,3)8-10-17/h6,12,15,19H,5,7-11H2,1-4H3
InChIKeyYGHKHUVGTFYAKS-UHFFFAOYSA-N
XLogP5.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 106654677
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 63942450
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
2-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylbutan-1-amine
CID 116769710
[(3-bromofuran-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277396
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine (CID 116769675) is N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1occc1Br)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is YGHKHUVGTFYAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-5-11-19-15(14-13(18)6-12-21-14)17(20-4)9-7-16(2,3)8-10-17/h6,12,15,19H,5,7-11H2,1-4H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 116769675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).