N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine

C14H24N2O — CID 62417408

IUPACN-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1cc(CN(C)C2CC2)oc1C
InChIInChI=1S/C14H24N2O/c1-4-7-15-9-12-8-14(17-11(12)2)10-16(3)13-5-6-13/h8,13,15H,4-7,9-10H2,1-3H3
InChIKeyPSMBRZVYMIHEGH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds7

About N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine

N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62417408) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62417408
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1cc(CN(C)C2CC2)oc1C
InChIInChI=1S/C14H24N2O/c1-4-7-15-9-12-8-14(17-11(12)2)10-16(3)13-5-6-13/h8,13,15H,4-7,9-10H2,1-3H3
InChIKeyPSMBRZVYMIHEGH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
CID 55074921
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine
CID 82754169
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (CID 62417408) is N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is CCCNCc1cc(CN(C)C2CC2)oc1C.
What is the InChIKey of N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PSMBRZVYMIHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-7-15-9-12-8-14(17-11(12)2)10-16(3)13-5-6-13/h8,13,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 236.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62417408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).