N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine

C16H30N2O — CID 62432117

IUPACN,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
SMILESCC(C)CNCc1ccoc1CN(C)C(C)C(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)9-17-10-15-7-8-19-16(15)11-18(6)14(5)13(3)4/h7-8,12-14,17H,9-11H2,1-6H3
InChIKeyNZQCOTFIPHQTII-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.50
Rot. Bonds8

About N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine

N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine (PubChem CID 62432117) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
PubChem CID62432117
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
SMILESCC(C)CNCc1ccoc1CN(C)C(C)C(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)9-17-10-15-7-8-19-16(15)11-18(6)14(5)13(3)4/h7-8,12-14,17H,9-11H2,1-6H3
InChIKeyNZQCOTFIPHQTII-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62431751
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
CID 62435869
N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 114103033
2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 112665532
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine (CID 62432117) is N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine is CC(C)CNCc1ccoc1CN(C)C(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The InChIKey is NZQCOTFIPHQTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)9-17-10-15-7-8-19-16(15)11-18(6)14(5)13(3)4/h7-8,12-14,17H,9-11H2,1-6H3.
What are the key properties of N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62432117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).