N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C17H33N3O — CID 62437066

IUPACN'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C17H33N3O/c1-7-9-20(11-10-19(5)6)14-15-8-12-21-16(15)13-18-17(2,3)4/h8,12,18H,7,9-11,13-14H2,1-6H3
InChIKeyLXMUDOFMGFFNBB-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds9

About N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62437066) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62437066
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C17H33N3O/c1-7-9-20(11-10-19(5)6)14-15-8-12-21-16(15)13-18-17(2,3)4/h8,12,18H,7,9-11,13-14H2,1-6H3
InChIKeyLXMUDOFMGFFNBB-UHFFFAOYSA-N
XLogP2.94
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine with MolForge

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Related Compounds

N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62420289
N-[[3-[[bis(2-methoxyethyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62462675
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55075072
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420329
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
CID 62431053
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436711
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methyloxolan-3-amine
CID 82754170

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62437066) is N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1ccoc1CNC(C)(C)C.
What is the InChIKey of N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is LXMUDOFMGFFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-9-20(11-10-19(5)6)14-15-8-12-21-16(15)13-18-17(2,3)4/h8,12,18H,7,9-11,13-14H2,1-6H3.
What are the key properties of N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 295.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62437066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).