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

C14H24N2O — CID 66337535

IUPACN-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine
SMILESCCNCc1ccc(CCCCNC2CC2)o1
InChIInChI=1S/C14H24N2O/c1-2-15-11-14-9-8-13(17-14)5-3-4-10-16-12-6-7-12/h8-9,12,15-16H,2-7,10-11H2,1H3
InChIKeyMDTRDWDUJGKECO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.46
Rot. Bonds9

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

N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine (PubChem CID 66337535) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine
PubChem CID66337535
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine
SMILESCCNCc1ccc(CCCCNC2CC2)o1
InChIInChI=1S/C14H24N2O/c1-2-15-11-14-9-8-13(17-14)5-3-4-10-16-12-6-7-12/h8-9,12,15-16H,2-7,10-11H2,1H3
InChIKeyMDTRDWDUJGKECO-UHFFFAOYSA-N
XLogP2.46
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.46
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-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337536
N-[4-[5-methyl-4-(propylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337351
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66321715
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[4-[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66322124
N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
CID 66339006
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-[4-[2-methyl-5-(methylaminomethyl)furan-3-yl]butyl]cyclopropanamine
CID 66339544
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine (CID 66337535) is N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine is CCNCc1ccc(CCCCNC2CC2)o1.
What is the InChIKey of N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
The InChIKey is MDTRDWDUJGKECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-15-11-14-9-8-13(17-14)5-3-4-10-16-12-6-7-12/h8-9,12,15-16H,2-7,10-11H2,1H3.
What are the key properties of N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine?
N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine has a molecular weight of 236.36 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66337535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).