2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine

C18H29NO2 — CID 62455545

IUPAC2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COCC2CC=CCC2C)o1
InChIInChI=1S/C18H29NO2/c1-14(2)10-19-11-17-8-9-18(21-17)13-20-12-16-7-5-4-6-15(16)3/h4-5,8-9,14-16,19H,6-7,10-13H2,1-3H3
InChIKeyPRJUUMIPIQGUPG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.14
Rot. Bonds8

About 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62455545) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62455545
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COCC2CC=CCC2C)o1
InChIInChI=1S/C18H29NO2/c1-14(2)10-19-11-17-8-9-18(21-17)13-20-12-16-7-5-4-6-15(16)3/h4-5,8-9,14-16,19H,6-7,10-13H2,1-3H3
InChIKeyPRJUUMIPIQGUPG-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-[(2-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62443568
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62455543
2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 79114107
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 66275553
N-(2-methoxyethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62434875
N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine
CID 62456474
N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201
N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 62455925
5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63574753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine (CID 62455545) is 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(COCC2CC=CCC2C)o1.
What is the InChIKey of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is PRJUUMIPIQGUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)10-19-11-17-8-9-18(21-17)13-20-12-16-7-5-4-6-15(16)3/h4-5,8-9,14-16,19H,6-7,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62455545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).