4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide

C13H20N2O2 — CID 43433249

IUPAC4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-2-7-12(17-9)8-15-11-5-3-10(4-6-11)13(14)16/h2,7,10-11,15H,3-6,8H2,1H3,(H2,14,16)
InChIKeyPESCSLUGAPMEAX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.72
Rot. Bonds4

About 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide

4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 43433249) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID43433249
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-2-7-12(17-9)8-15-11-5-3-10(4-6-11)13(14)16/h2,7,10-11,15H,3-6,8H2,1H3,(H2,14,16)
InChIKeyPESCSLUGAPMEAX-UHFFFAOYSA-N
XLogP1.72
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977131
methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149306
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285
N-[(5-methylfuran-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 55023953
cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate
CID 129432511
5-[(cyclohexylamino)methyl]furan-2-carboxamide
CID 115672619
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
4-[(2,3-dihydroxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61317470
[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
4-[(5-phenylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509758

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide (CID 43433249) is 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide is Cc1ccc(CNC2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is PESCSLUGAPMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-2-7-12(17-9)8-15-11-5-3-10(4-6-11)13(14)16/h2,7,10-11,15H,3-6,8H2,1H3,(H2,14,16).
What are the key properties of 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide?
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43433249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).