N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

C16H30N2O — CID 62420942

IUPACN,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1cc(CNC(C)C)c(C)o1
InChIInChI=1S/C16H30N2O/c1-7-13(4)10-18(6)11-16-8-15(14(5)19-16)9-17-12(2)3/h8,12-13,17H,7,9-11H2,1-6H3
InChIKeyPJXADDXLJHZXJY-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.56
Rot. Bonds8

About N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (PubChem CID 62420942) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
PubChem CID62420942
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1cc(CNC(C)C)c(C)o1
InChIInChI=1S/C16H30N2O/c1-7-13(4)10-18(6)11-16-8-15(14(5)19-16)9-17-12(2)3/h8,12-13,17H,7,9-11H2,1-6H3
InChIKeyPJXADDXLJHZXJY-UHFFFAOYSA-N
XLogP3.56
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62428901
N-[[2-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431962
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420559
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 107402081
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexan-1-amine
CID 62463291
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025
N-[[2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62422031
N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
CID 63727556

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (CID 62420942) is N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is CCC(C)CN(C)Cc1cc(CNC(C)C)c(C)o1.
What is the InChIKey of N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The InChIKey is PJXADDXLJHZXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-13(4)10-18(6)11-16-8-15(14(5)19-16)9-17-12(2)3/h8,12-13,17H,7,9-11H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 62420942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).