[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol

C18H29NO2 — CID 79124113

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCCC1CCCC(CN)(C(O)c2ccc(C3CC3C)o2)C1
InChIInChI=1S/C18H29NO2/c1-3-13-5-4-8-18(10-13,11-19)17(20)16-7-6-15(21-16)14-9-12(14)2/h6-7,12-14,17,20H,3-5,8-11,19H2,1-2H3
InChIKeyLOYACZOHFPJTLX-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.98
Rot. Bonds5

About [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol

[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol (PubChem CID 79124113) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
PubChem CID79124113
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCCC1CCCC(CN)(C(O)c2ccc(C3CC3C)o2)C1
InChIInChI=1S/C18H29NO2/c1-3-13-5-4-8-18(10-13,11-19)17(20)16-7-6-15(21-16)14-9-12(14)2/h6-7,12-14,17,20H,3-5,8-11,19H2,1-2H3
InChIKeyLOYACZOHFPJTLX-UHFFFAOYSA-N
XLogP3.98
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol (CID 79124113) is [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol is CCC1CCCC(CN)(C(O)c2ccc(C3CC3C)o2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The InChIKey is LOYACZOHFPJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-13-5-4-8-18(10-13,11-19)17(20)16-7-6-15(21-16)14-9-12(14)2/h6-7,12-14,17,20H,3-5,8-11,19H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol has a molecular weight of 291.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol is sourced from PubChem (CID 79124113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).