N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

C16H30N2O3 — CID 62462848

IUPACN-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCOCCN(CCOC)Cc1cc(C)c(CNC(C)C)o1
InChIInChI=1S/C16H30N2O3/c1-13(2)17-11-16-14(3)10-15(21-16)12-18(6-8-19-4)7-9-20-5/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyZVNQFVJTVBEJMH-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.18
Rot. Bonds11

About N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62462848) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62462848
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCOCCN(CCOC)Cc1cc(C)c(CNC(C)C)o1
InChIInChI=1S/C16H30N2O3/c1-13(2)17-11-16-14(3)10-15(21-16)12-18(6-8-19-4)7-9-20-5/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyZVNQFVJTVBEJMH-UHFFFAOYSA-N
XLogP2.18
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481157
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62434715
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 62447453
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 114413435
N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
CID 82753900
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 62462362

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (CID 62462848) is N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is COCCN(CCOC)Cc1cc(C)c(CNC(C)C)o1.
What is the InChIKey of N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is ZVNQFVJTVBEJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(2)17-11-16-14(3)10-15(21-16)12-18(6-8-19-4)7-9-20-5/h10,13,17H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 298.43 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62462848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).