N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

C17H30N2O2 — CID 63707162

IUPACN-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC2CCOCC2)cc1C
InChIInChI=1S/C17H30N2O2/c1-4-7-18-11-17-14(2)10-16(21-17)13-19(3)12-15-5-8-20-9-6-15/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyJAVNFTPIMCXDGX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.95
Rot. Bonds8

About N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 63707162) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID63707162
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)CC2CCOCC2)cc1C
InChIInChI=1S/C17H30N2O2/c1-4-7-18-11-17-14(2)10-16(21-17)13-19(3)12-15-5-8-20-9-6-15/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyJAVNFTPIMCXDGX-UHFFFAOYSA-N
XLogP2.95
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 63707162) is N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN(C)CC2CCOCC2)cc1C.
What is the InChIKey of N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is JAVNFTPIMCXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-7-18-11-17-14(2)10-16(21-17)13-19(3)12-15-5-8-20-9-6-15/h10,15,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63707162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).