N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine

C18H29NO2 — CID 62458109

IUPACN-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESCC1CC(OCc2cc(CNC3CC3)co2)CC(C)(C)C1
InChIInChI=1S/C18H29NO2/c1-13-6-16(9-18(2,3)8-13)21-12-17-7-14(11-20-17)10-19-15-4-5-15/h7,11,13,15-16,19H,4-6,8-10,12H2,1-3H3
InChIKeyRRNCLLUVYCPNKB-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.26
Rot. Bonds6

About N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62458109) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62458109
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESCC1CC(OCc2cc(CNC3CC3)co2)CC(C)(C)C1
InChIInChI=1S/C18H29NO2/c1-13-6-16(9-18(2,3)8-13)21-12-17-7-14(11-20-17)10-19-15-4-5-15/h7,11,13,15-16,19H,4-6,8-10,12H2,1-3H3
InChIKeyRRNCLLUVYCPNKB-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
1-[5-(cyclopentyloxymethyl)furan-3-yl]-N-methylmethanamine
CID 62444242
N-[[5-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62445685
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 114342453
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 114470626
N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446230
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64739134
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-[[5-[[bis(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62426609
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine (CID 62458109) is N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine is CC1CC(OCc2cc(CNC3CC3)co2)CC(C)(C)C1.
What is the InChIKey of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is RRNCLLUVYCPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-6-16(9-18(2,3)8-13)21-12-17-7-14(11-20-17)10-19-15-4-5-15/h7,11,13,15-16,19H,4-6,8-10,12H2,1-3H3.
What are the key properties of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 291.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62458109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).