N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

C15H28N2O — CID 62420559

IUPACN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1occc1CNC(C)C
InChIInChI=1S/C15H28N2O/c1-6-13(4)10-17(5)11-15-14(7-8-18-15)9-16-12(2)3/h7-8,12-13,16H,6,9-11H2,1-5H3
InChIKeyKMZVODRCDJDSCG-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.26
Rot. Bonds8

About N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (PubChem CID 62420559) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
PubChem CID62420559
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1occc1CNC(C)C
InChIInChI=1S/C15H28N2O/c1-6-13(4)10-17(5)11-15-14(7-8-18-15)9-16-12(2)3/h7-8,12-13,16H,6,9-11H2,1-5H3
InChIKeyKMZVODRCDJDSCG-UHFFFAOYSA-N
XLogP3.26
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420998
N-[[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431387
N-[[2-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62411999
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N-[[2-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431362
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
CID 106905796
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422966

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (CID 62420559) is N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is CCC(C)CN(C)Cc1occc1CNC(C)C.
What is the InChIKey of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The InChIKey is KMZVODRCDJDSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-13(4)10-17(5)11-15-14(7-8-18-15)9-16-12(2)3/h7-8,12-13,16H,6,9-11H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.26, 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-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 62420559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).