N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine

C17H31N3O — CID 62432812

IUPACN,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
SMILESCC(C)CNCc1ccc(CN2CCC(N(C)C)CC2)o1
InChIInChI=1S/C17H31N3O/c1-14(2)11-18-12-16-5-6-17(21-16)13-20-9-7-15(8-10-20)19(3)4/h5-6,14-15,18H,7-13H2,1-4H3
InChIKeyYRYQPIMPHCCZTF-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.55
Rot. Bonds7

About N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine

N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine (PubChem CID 62432812) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
PubChem CID62432812
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
SMILESCC(C)CNCc1ccc(CN2CCC(N(C)C)CC2)o1
InChIInChI=1S/C17H31N3O/c1-14(2)11-18-12-16-5-6-17(21-16)13-20-9-7-15(8-10-20)19(3)4/h5-6,14-15,18H,7-13H2,1-4H3
InChIKeyYRYQPIMPHCCZTF-UHFFFAOYSA-N
XLogP2.55
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine (CID 62432812) is N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine is CC(C)CNCc1ccc(CN2CCC(N(C)C)CC2)o1.
What is the InChIKey of N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is YRYQPIMPHCCZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)11-18-12-16-5-6-17(21-16)13-20-9-7-15(8-10-20)19(3)4/h5-6,14-15,18H,7-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine?
N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 62432812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).