2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine

C16H29NO2 — CID 62456618

IUPAC2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CCCOCc1ccoc1CNCC(C)C
InChIInChI=1S/C16H29NO2/c1-13(2)6-5-8-18-12-15-7-9-19-16(15)11-17-10-14(3)4/h7,9,13-14,17H,5-6,8,10-12H2,1-4H3
InChIKeyHIZFZNJCRUICLO-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.98
Rot. Bonds10

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

2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62456618) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62456618
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCC(C)CCCOCc1ccoc1CNCC(C)C
InChIInChI=1S/C16H29NO2/c1-13(2)6-5-8-18-12-15-7-9-19-16(15)11-17-10-14(3)4/h7,9,13-14,17H,5-6,8,10-12H2,1-4H3
InChIKeyHIZFZNJCRUICLO-UHFFFAOYSA-N
XLogP3.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
CID 62456984
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
CID 106449861
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62456618) is 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine is CC(C)CCCOCc1ccoc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is HIZFZNJCRUICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(2)6-5-8-18-12-15-7-9-19-16(15)11-17-10-14(3)4/h7,9,13-14,17H,5-6,8,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62456618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).