1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine

C16H27NO2 — CID 105030163

IUPAC1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1ccoc1
InChIInChI=1S/C16H27NO2/c1-2-9-17-15(12-14-8-11-18-13-14)6-7-16-5-3-4-10-19-16/h8,11,13,15-17H,2-7,9-10,12H2,1H3
InChIKeyNJYPDNBBZMFRHK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine

1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine (PubChem CID 105030163) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
PubChem CID105030163
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1ccoc1
InChIInChI=1S/C16H27NO2/c1-2-9-17-15(12-14-8-11-18-13-14)6-7-16-5-3-4-10-19-16/h8,11,13,15-17H,2-7,9-10,12H2,1H3
InChIKeyNJYPDNBBZMFRHK-UHFFFAOYSA-N
XLogP3.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105019959
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 105037671
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine (CID 105030163) is 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCCO1)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The InChIKey is NJYPDNBBZMFRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-9-17-15(12-14-8-11-18-13-14)6-7-16-5-3-4-10-19-16/h8,11,13,15-17H,2-7,9-10,12H2,1H3.
What are the key properties of 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 105030163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).