3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine

C17H31NO — CID 63502641

IUPAC3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccc(C)o1
InChIInChI=1S/C17H31NO/c1-7-10-18-15(16-9-8-14(3)19-16)11-13(2)12-17(4,5)6/h8-9,13,15,18H,7,10-12H2,1-6H3
InChIKeyHZXWXUYXNFIYMF-UHFFFAOYSA-N
MW265.44 g/mol
LogP5.09
Rot. Bonds7

About 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine

3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine (PubChem CID 63502641) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
PubChem CID63502641
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1ccc(C)o1
InChIInChI=1S/C17H31NO/c1-7-10-18-15(16-9-8-14(3)19-16)11-13(2)12-17(4,5)6/h8-9,13,15,18H,7,10-12H2,1-6H3
InChIKeyHZXWXUYXNFIYMF-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 104991561
1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43496847
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
CID 114201829
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine (CID 63502641) is 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)(C)C)c1ccc(C)o1.
What is the InChIKey of 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine?
The InChIKey is HZXWXUYXNFIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-7-10-18-15(16-9-8-14(3)19-16)11-13(2)12-17(4,5)6/h8-9,13,15,18H,7,10-12H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine?
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 63502641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).