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

C16H28N2O — CID 62430378

IUPACN-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNCC)c(C)o1)C1CC1
InChIInChI=1S/C16H28N2O/c1-4-6-9-18(15-7-8-15)12-16-10-14(11-17-5-2)13(3)19-16/h10,15,17H,4-9,11-12H2,1-3H3
InChIKeyFRNLPODWNBYASA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.46
Rot. Bonds9

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

N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62430378) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62430378
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNCC)c(C)o1)C1CC1
InChIInChI=1S/C16H28N2O/c1-4-6-9-18(15-7-8-15)12-16-10-14(11-17-5-2)13(3)19-16/h10,15,17H,4-9,11-12H2,1-3H3
InChIKeyFRNLPODWNBYASA-UHFFFAOYSA-N
XLogP3.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclohexanamine
CID 62424477
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008490
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 62430378) is N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine is CCCCN(Cc1cc(CNCC)c(C)o1)C1CC1.
What is the InChIKey of N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is FRNLPODWNBYASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-9-18(15-7-8-15)12-16-10-14(11-17-5-2)13(3)19-16/h10,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 264.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62430378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).