N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine

C17H29NO2 — CID 62571265

IUPACN-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
SMILESCC1CCC(C(C)C)C(OCCNCc2ccco2)C1
InChIInChI=1S/C17H29NO2/c1-13(2)16-7-6-14(3)11-17(16)20-10-8-18-12-15-5-4-9-19-15/h4-5,9,13-14,16-18H,6-8,10-12H2,1-3H3
InChIKeyDCSHLEFTQRCPAE-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.85
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine

N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine (PubChem CID 62571265) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
PubChem CID62571265
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
SMILESCC1CCC(C(C)C)C(OCCNCc2ccco2)C1
InChIInChI=1S/C17H29NO2/c1-13(2)16-7-6-14(3)11-17(16)20-10-8-18-12-15-5-4-9-19-15/h4-5,9,13-14,16-18H,6-8,10-12H2,1-3H3
InChIKeyDCSHLEFTQRCPAE-UHFFFAOYSA-N
XLogP3.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
CID 62566530
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-thiophen-2-ylethanamine
CID 63506181
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
2-[(E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-enyl]furan
CID 101001931
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42939618
(4S,5R)-4-(furan-2-yl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-5-phenyl-4,5-dihydro-1H-pyrazole
CID 100962790
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine (CID 62571265) is N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine is CC1CCC(C(C)C)C(OCCNCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
The InChIKey is DCSHLEFTQRCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)16-7-6-14(3)11-17(16)20-10-8-18-12-15-5-4-9-19-15/h4-5,9,13-14,16-18H,6-8,10-12H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine?
N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine is sourced from PubChem (CID 62571265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).