N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine

C16H27N3O — CID 62423916

IUPACN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc(CNC3CC3)co2)CC1
InChIInChI=1S/C16H27N3O/c1-18-7-5-15(6-8-18)19(2)11-16-9-13(12-20-16)10-17-14-3-4-14/h9,12,14-15,17H,3-8,10-11H2,1-2H3
InChIKeyMSILZOVSJRTZKK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.06
Rot. Bonds6

About N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 62423916) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID62423916
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc(CNC3CC3)co2)CC1
InChIInChI=1S/C16H27N3O/c1-18-7-5-15(6-8-18)19(2)11-16-9-13(12-20-16)10-17-14-3-4-14/h9,12,14-15,17H,3-8,10-11H2,1-2H3
InChIKeyMSILZOVSJRTZKK-UHFFFAOYSA-N
XLogP2.06
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine with MolForge

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Related Compounds

N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[5-[[2,2-dimethylpropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462274
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
CID 62438694
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411812
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436053
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-[[bis(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62426609
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine (CID 62423916) is N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2cc(CNC3CC3)co2)CC1.
What is the InChIKey of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is MSILZOVSJRTZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-7-5-15(6-8-18)19(2)11-16-9-13(12-20-16)10-17-14-3-4-14/h9,12,14-15,17H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 62423916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).