N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C16H27NO4 — CID 103181090

IUPACN-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCCOCc1cc(CNC2CC2)c(C)o1
InChIInChI=1S/C16H27NO4/c1-13-14(11-17-15-4-5-15)10-16(21-13)12-20-9-8-19-7-3-6-18-2/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyYHBNLQJCZRKKJM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.41
Rot. Bonds12

About N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 103181090) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID103181090
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC NameN-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCCOCc1cc(CNC2CC2)c(C)o1
InChIInChI=1S/C16H27NO4/c1-13-14(11-17-15-4-5-15)10-16(21-13)12-20-9-8-19-7-3-6-18-2/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyYHBNLQJCZRKKJM-UHFFFAOYSA-N
XLogP2.41
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-methyl-4-[[[4-(trifluoromethyl)oxan-4-yl]amino]methyl]furan-2-carboxylate
CID 72111248
(2S)-1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-methoxypropan-2-ol
CID 91660444
5-Methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
CID 6946575
N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 55073156
N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 55073253
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 55073254
N-[[3-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073396
2-methyl-N-[[3-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073397
1-[5-[(4-fluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55076792
N-[[5-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 55076856
N-[[5-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 55076889
N-[[5-[(2-fluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 55076928

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 103181090) is N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is COCCCOCCOCc1cc(CNC2CC2)c(C)o1.
What is the InChIKey of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is YHBNLQJCZRKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13-14(11-17-15-4-5-15)10-16(21-13)12-20-9-8-19-7-3-6-18-2/h10,15,17H,3-9,11-12H2,1-2H3.
What are the key properties of N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 297.40 g/mol, XLogP of 2.41, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103181090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).