N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

C16H26N2O — CID 62431615

IUPACN-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1ccoc1CNC1CC1)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-3-9-18(15-6-7-15)12-13-8-10-19-16(13)11-17-14-4-5-14/h8,10,14-15,17H,2-7,9,11-12H2,1H3
InChIKeyBRDFVJARIFLNQK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.30
Rot. Bonds9

About N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62431615) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62431615
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1ccoc1CNC1CC1)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-3-9-18(15-6-7-15)12-13-8-10-19-16(13)11-17-14-4-5-14/h8,10,14-15,17H,2-7,9,11-12H2,1H3
InChIKeyBRDFVJARIFLNQK-UHFFFAOYSA-N
XLogP3.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 64522663
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436711
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 62431615) is N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is CCCCN(Cc1ccoc1CNC1CC1)C1CC1.
What is the InChIKey of N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is BRDFVJARIFLNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-9-18(15-6-7-15)12-13-8-10-19-16(13)11-17-14-4-5-14/h8,10,14-15,17H,2-7,9,11-12H2,1H3.
What are the key properties of N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62431615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).