1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid

C20H32N2O5 — CID 17486432

IUPAC1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
SMILESCc1ccc(CNCC2(N3CCCCC3)CCCCC2)o1.O=C(O)C(=O)O
InChIInChI=1S/C18H30N2O.C2H2O4/c1-16-8-9-17(21-16)14-19-15-18(10-4-2-5-11-18)20-12-6-3-7-13-20;3-1(4)2(5)6/h8-9,19H,2-7,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyAQTBLAKBUSDWHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid

1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid (PubChem CID 17486432) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
PubChem CID17486432
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
SMILESCc1ccc(CNCC2(N3CCCCC3)CCCCC2)o1.O=C(O)C(=O)O
InChIInChI=1S/C18H30N2O.C2H2O4/c1-16-8-9-17(21-16)14-19-15-18(10-4-2-5-11-18)20-12-6-3-7-13-20;3-1(4)2(5)6/h8-9,19H,2-7,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyAQTBLAKBUSDWHI-UHFFFAOYSA-N
XLogP3.02
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide
CID 111908421
methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247585
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid
CID 65107448
N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine;oxalic acid
CID 17052973
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95221812
1,5-dimethyl-2-phenyl-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrazol-3-one
CID 119110847
N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
CID 83007735
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid (CID 17486432) is 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid is Cc1ccc(CNCC2(N3CCCCC3)CCCCC2)o1.O=C(O)C(=O)O.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid?
The InChIKey is AQTBLAKBUSDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.C2H2O4/c1-16-8-9-17(21-16)14-19-15-18(10-4-2-5-11-18)20-12-6-3-7-13-20;3-1(4)2(5)6/h8-9,19H,2-7,10-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid?
1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid has a molecular weight of 380.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid is sourced from PubChem (CID 17486432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).