N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

C16H26N2O2 — CID 107395572

IUPACN-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCOC1(C)CCCN(Cc2cc(CNC3CC3)co2)C1
InChIInChI=1S/C16H26N2O2/c1-16(19-2)6-3-7-18(12-16)10-15-8-13(11-20-15)9-17-14-4-5-14/h8,11,14,17H,3-7,9-10,12H2,1-2H3
InChIKeyHKGITTZFYBBLKZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds6

About N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 107395572) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID107395572
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCOC1(C)CCCN(Cc2cc(CNC3CC3)co2)C1
InChIInChI=1S/C16H26N2O2/c1-16(19-2)6-3-7-18(12-16)10-15-8-13(11-20-15)9-17-14-4-5-14/h8,11,14,17H,3-7,9-10,12H2,1-2H3
InChIKeyHKGITTZFYBBLKZ-UHFFFAOYSA-N
XLogP2.53
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102746010
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62974113
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 107395527
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 107395309
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62932027
N-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 102968121
N-[[3-bromo-4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 102771228
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62432226

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine (CID 107395572) is N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is COC1(C)CCCN(Cc2cc(CNC3CC3)co2)C1.
What is the InChIKey of N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is HKGITTZFYBBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(19-2)6-3-7-18(12-16)10-15-8-13(11-20-15)9-17-14-4-5-14/h8,11,14,17H,3-7,9-10,12H2,1-2H3.
What are the key properties of N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107395572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).