N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine

C17H30N2O — CID 107402081

IUPACN-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
SMILESCCN(Cc1cc(CNC(C)C)c(C)o1)CC1CCC1
InChIInChI=1S/C17H30N2O/c1-5-19(11-15-7-6-8-15)12-17-9-16(14(4)20-17)10-18-13(2)3/h9,13,15,18H,5-8,10-12H2,1-4H3
InChIKeyOTGNMSAAAMIOMB-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds8

About N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine

N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine (PubChem CID 107402081) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
PubChem CID107402081
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
SMILESCCN(Cc1cc(CNC(C)C)c(C)o1)CC1CCC1
InChIInChI=1S/C17H30N2O/c1-5-19(11-15-7-6-8-15)12-17-9-16(14(4)20-17)10-18-13(2)3/h9,13,15,18H,5-8,10-12H2,1-4H3
InChIKeyOTGNMSAAAMIOMB-UHFFFAOYSA-N
XLogP3.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carbohydrazide
CID 107402375
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305
N-[[5-[(3-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62432690
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 107402142

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine (CID 107402081) is N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine is CCN(Cc1cc(CNC(C)C)c(C)o1)CC1CCC1.
What is the InChIKey of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The InChIKey is OTGNMSAAAMIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-19(11-15-7-6-8-15)12-17-9-16(14(4)20-17)10-18-13(2)3/h9,13,15,18H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107402081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).