N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine

C16H29NO2 — CID 103285591

IUPACN-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(COCC(C)CCC)cc1C
InChIInChI=1S/C16H29NO2/c1-5-7-13(3)11-18-12-15-9-14(4)16(19-15)10-17-8-6-2/h9,13,17H,5-8,10-12H2,1-4H3
InChIKeyJVGIMVIKLSGSJT-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.04
Rot. Bonds10

About N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 103285591) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID103285591
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(COCC(C)CCC)cc1C
InChIInChI=1S/C16H29NO2/c1-5-7-13(3)11-18-12-15-9-14(4)16(19-15)10-17-8-6-2/h9,13,17H,5-8,10-12H2,1-4H3
InChIKeyJVGIMVIKLSGSJT-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 103285697
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457294
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[5-[(2-chloro-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63495955

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 103285591) is N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(COCC(C)CCC)cc1C.
What is the InChIKey of N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is JVGIMVIKLSGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-7-13(3)11-18-12-15-9-14(4)16(19-15)10-17-8-6-2/h9,13,17H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103285591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).