N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine

C14H24N2O2 — CID 43204980

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(C(C)NCCCN2CCOCC2)o1
InChIInChI=1S/C14H24N2O2/c1-12-4-5-14(18-12)13(2)15-6-3-7-16-8-10-17-11-9-16/h4-5,13,15H,3,6-11H2,1-2H3
InChIKeyAUTXZPSPXCPPKD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds6

About N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine

N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43204980) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43204980
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(C(C)NCCCN2CCOCC2)o1
InChIInChI=1S/C14H24N2O2/c1-12-4-5-14(18-12)13(2)15-6-3-7-16-8-10-17-11-9-16/h4-5,13,15H,3,6-11H2,1-2H3
InChIKeyAUTXZPSPXCPPKD-UHFFFAOYSA-N
XLogP1.96
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
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

1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
1-(5-methylfuran-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54860988
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 99853283
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine (CID 43204980) is N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(C(C)NCCCN2CCOCC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is AUTXZPSPXCPPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12-4-5-14(18-12)13(2)15-6-3-7-16-8-10-17-11-9-16/h4-5,13,15H,3,6-11H2,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43204980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).