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

C14H24N2O — CID 66321715

IUPACN-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
SMILESCNCc1cc(CCCCNC2CC2)oc1C
InChIInChI=1S/C14H24N2O/c1-11-12(10-15-2)9-14(17-11)5-3-4-8-16-13-6-7-13/h9,13,15-16H,3-8,10H2,1-2H3
InChIKeyUXYRBZAOAXNSOO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.38
Rot. Bonds8

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

N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine (PubChem CID 66321715) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
PubChem CID66321715
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
SMILESCNCc1cc(CCCCNC2CC2)oc1C
InChIInChI=1S/C14H24N2O/c1-11-12(10-15-2)9-14(17-11)5-3-4-8-16-13-6-7-13/h9,13,15-16H,3-8,10H2,1-2H3
InChIKeyUXYRBZAOAXNSOO-UHFFFAOYSA-N
XLogP2.38
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methyl-5-(methylaminomethyl)furan-3-yl]butyl]cyclopropanamine
CID 66339544
N-[4-[5-methyl-4-(propylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337351
N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
CID 66339006
N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337536
N-[4-[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66322124
N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337535
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine (CID 66321715) is N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine is CNCc1cc(CCCCNC2CC2)oc1C.
What is the InChIKey of N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The InChIKey is UXYRBZAOAXNSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-12(10-15-2)9-14(17-11)5-3-4-8-16-13-6-7-13/h9,13,15-16H,3-8,10H2,1-2H3.
What are the key properties of N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine has a molecular weight of 236.36 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66321715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).