methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate

C16H26N2O3 — CID 43425240

IUPACmethyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H26N2O3/c1-18(2)16(8-5-4-6-9-16)12-17-11-13-7-10-21-14(13)15(19)20-3/h7,10,17H,4-6,8-9,11-12H2,1-3H3
InChIKeyPHSCYCZBAPSLRE-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.42
Rot. Bonds6

About methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate

methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate (PubChem CID 43425240) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
PubChem CID43425240
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H26N2O3/c1-18(2)16(8-5-4-6-9-16)12-17-11-13-7-10-21-14(13)15(19)20-3/h7,10,17H,4-6,8-9,11-12H2,1-3H3
InChIKeyPHSCYCZBAPSLRE-UHFFFAOYSA-N
XLogP2.42
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]furan-2-carboxylate
CID 81039312
methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
CID 43234477
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
CID 43425553
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate (CID 43425240) is methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCC1(N(C)C)CCCCC1.
What is the InChIKey of methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate?
The InChIKey is PHSCYCZBAPSLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18(2)16(8-5-4-6-9-16)12-17-11-13-7-10-21-14(13)15(19)20-3/h7,10,17H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate?
methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43425240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).