N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine

C16H26N2O2 — CID 62458955

IUPACN-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCCN2CCCC2)cc1CNC1CC1
InChIInChI=1S/C16H26N2O2/c1-13-14(11-17-15-4-5-15)10-16(20-13)12-19-9-8-18-6-2-3-7-18/h10,15,17H,2-9,11-12H2,1H3
InChIKeyLEEUHDBDZOEAPD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds8

About N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine

N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62458955) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62458955
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCCN2CCCC2)cc1CNC1CC1
InChIInChI=1S/C16H26N2O2/c1-13-14(11-17-15-4-5-15)10-16(20-13)12-19-9-8-18-6-2-3-7-18/h10,15,17H,2-9,11-12H2,1H3
InChIKeyLEEUHDBDZOEAPD-UHFFFAOYSA-N
XLogP2.45
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 55076653
N-methyl-1-[5-methyl-4-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 62460576
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62485651
N-[[5-(furan-2-ylmethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446362
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
N-[[4-(3-methoxypropoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62442824
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 66226191

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62458955) is N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine is Cc1oc(COCCN2CCCC2)cc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is LEEUHDBDZOEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-14(11-17-15-4-5-15)10-16(20-13)12-19-9-8-18-6-2-3-7-18/h10,15,17H,2-9,11-12H2,1H3.
What are the key properties of N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62458955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).