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

C13H22N2O2 — CID 62439019

IUPACN-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-2-4-14-10-12-3-7-17-13(12)11-15-5-8-16-9-6-15/h3,7,14H,2,4-6,8-11H2,1H3
InChIKeyGKXDHOGRWFBQFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds6

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

N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62439019) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62439019
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-2-4-14-10-12-3-7-17-13(12)11-15-5-8-16-9-6-15/h3,7,14H,2,4-6,8-11H2,1H3
InChIKeyGKXDHOGRWFBQFI-UHFFFAOYSA-N
XLogP1.61
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
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-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 102745997
N-[[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456153
N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114460894
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
2-(morpholin-4-ylmethyl)furan-3-amine
CID 82407819
N-[[3-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 107456302
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine (CID 62439019) is N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is GKXDHOGRWFBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-4-14-10-12-3-7-17-13(12)11-15-5-8-16-9-6-15/h3,7,14H,2,4-6,8-11H2,1H3.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62439019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).