N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine

C14H24N2O — CID 113498791

IUPACN,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C14H24N2O/c1-11(2)8-16(5)9-14-6-13(10-17-14)7-15-12(3)4/h6,10,12,15H,1,7-9H2,2-5H3
InChIKeyLEUIULYRKAQCJO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.79
Rot. Bonds7

About N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine

N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 113498791) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
PubChem CID113498791
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C14H24N2O/c1-11(2)8-16(5)9-14-6-13(10-17-14)7-15-12(3)4/h6,10,12,15H,1,7-9H2,2-5H3
InChIKeyLEUIULYRKAQCJO-UHFFFAOYSA-N
XLogP2.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273
N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 114238247
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63274233
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62419547
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754632
N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
CID 79679317

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine (CID 113498791) is N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine is C=C(C)CN(C)Cc1cc(CNC(C)C)co1.
What is the InChIKey of N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is LEUIULYRKAQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)8-16(5)9-14-6-13(10-17-14)7-15-12(3)4/h6,10,12,15H,1,7-9H2,2-5H3.
What are the key properties of N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine?
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 113498791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).