N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine

C16H27NO2 — CID 116764210

IUPACN-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1(OCC)CCCCC1
InChIInChI=1S/C16H27NO2/c1-3-11-17-15(14-8-12-18-13-14)16(19-4-2)9-6-5-7-10-16/h8,12-13,15,17H,3-7,9-11H2,1-2H3
InChIKeyJGRGNRIMFRKOEV-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.06
Rot. Bonds7

About N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine

N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 116764210) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID116764210
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1(OCC)CCCCC1
InChIInChI=1S/C16H27NO2/c1-3-11-17-15(14-8-12-18-13-14)16(19-4-2)9-6-5-7-10-16/h8,12-13,15,17H,3-7,9-11H2,1-2H3
InChIKeyJGRGNRIMFRKOEV-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116767400
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788
N,N-diethyl-1-[furan-3-yl(propylamino)methyl]cyclopentan-1-amine
CID 79070351
N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine (CID 116764210) is N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)C1(OCC)CCCCC1.
What is the InChIKey of N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is JGRGNRIMFRKOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-11-17-15(14-8-12-18-13-14)16(19-4-2)9-6-5-7-10-16/h8,12-13,15,17H,3-7,9-11H2,1-2H3.
What are the key properties of N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 116764210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).