N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine

C15H26N2O — CID 62419772

IUPACN-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCCC)co1
InChIInChI=1S/C15H26N2O/c1-5-7-16-9-14-8-15(18-12-14)11-17(6-2)10-13(3)4/h8,12,16H,3,5-7,9-11H2,1-2,4H3
InChIKeyDHPHKMBLEKEFCW-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.18
Rot. Bonds9

About N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine

N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 62419772) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
PubChem CID62419772
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCCC)co1
InChIInChI=1S/C15H26N2O/c1-5-7-16-9-14-8-15(18-12-14)11-17(6-2)10-13(3)4/h8,12,16H,3,5-7,9-11H2,1-2,4H3
InChIKeyDHPHKMBLEKEFCW-UHFFFAOYSA-N
XLogP3.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555698
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
CID 62417271
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 63940661
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine (CID 62419772) is N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine is C=C(C)CN(CC)Cc1cc(CNCCC)co1.
What is the InChIKey of N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is DHPHKMBLEKEFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-16-9-14-8-15(18-12-14)11-17(6-2)10-13(3)4/h8,12,16H,3,5-7,9-11H2,1-2,4H3.
What are the key properties of N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 62419772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).