N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine

C17H29NO2 — CID 64738120

IUPACN-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COC1CCC(C)C(C)C1
InChIInChI=1S/C17H29NO2/c1-4-8-18-11-15-7-9-19-17(15)12-20-16-6-5-13(2)14(3)10-16/h7,9,13-14,16,18H,4-6,8,10-12H2,1-3H3
InChIKeyBOFDQVPUBDYCMF-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.12
Rot. Bonds7

About N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine

N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 64738120) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
PubChem CID64738120
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COC1CCC(C)C(C)C1
InChIInChI=1S/C17H29NO2/c1-4-8-18-11-15-7-9-19-17(15)12-20-16-6-5-13(2)14(3)10-16/h7,9,13-14,16,18H,4-6,8,10-12H2,1-3H3
InChIKeyBOFDQVPUBDYCMF-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62455464
N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 63556926
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 64740338
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine (CID 64738120) is N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1COC1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is BOFDQVPUBDYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-8-18-11-15-7-9-19-17(15)12-20-16-6-5-13(2)14(3)10-16/h7,9,13-14,16,18H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 64738120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).