1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine

C15H27NO — CID 63833258

IUPAC1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)c1ccco1
InChIInChI=1S/C15H27NO/c1-6-9-16-13(14-8-7-10-17-14)11-12(2)15(3,4)5/h7-8,10,12-13,16H,6,9,11H2,1-5H3
InChIKeyGRECIRVSNGDOEP-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.39
Rot. Bonds6

About 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine

1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine (PubChem CID 63833258) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
PubChem CID63833258
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)c1ccco1
InChIInChI=1S/C15H27NO/c1-6-9-16-13(14-8-7-10-17-14)11-12(2)15(3,4)5/h7-8,10,12-13,16H,6,9,11H2,1-5H3
InChIKeyGRECIRVSNGDOEP-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
1-(furan-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105146972
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine (CID 63833258) is 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine is CCCNC(CC(C)C(C)(C)C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The InChIKey is GRECIRVSNGDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-9-16-13(14-8-7-10-17-14)11-12(2)15(3,4)5/h7-8,10,12-13,16H,6,9,11H2,1-5H3.
What are the key properties of 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine?
1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 63833258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).