N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine

C17H29N3O — CID 62423023

IUPACN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCc1oc(CNC2CC2)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-13-14(10-17(21-13)11-18-15-4-5-15)12-20(3)16-6-8-19(2)9-7-16/h10,15-16,18H,4-9,11-12H2,1-3H3
InChIKeyHEPIGIPLIVEMHE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.37
Rot. Bonds6

About N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 62423023) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID62423023
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCc1oc(CNC2CC2)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-13-14(10-17(21-13)11-18-15-4-5-15)12-20(3)16-6-8-19(2)9-7-16/h10,15-16,18H,4-9,11-12H2,1-3H3
InChIKeyHEPIGIPLIVEMHE-UHFFFAOYSA-N
XLogP2.37
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82754162
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine (CID 62423023) is N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine is Cc1oc(CNC2CC2)cc1CN(C)C1CCN(C)CC1.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is HEPIGIPLIVEMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-14(10-17(21-13)11-18-15-4-5-15)12-20(3)16-6-8-19(2)9-7-16/h10,15-16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 62423023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).