N-[(5-methylfuran-3-yl)methyl]cyclohexanamine

C12H19NO — CID 114820481

IUPACN-[(5-methylfuran-3-yl)methyl]cyclohexanamine
SMILESCc1cc(CNC2CCCCC2)co1
InChIInChI=1S/C12H19NO/c1-10-7-11(9-14-10)8-13-12-5-3-2-4-6-12/h7,9,12-13H,2-6,8H2,1H3
InChIKeyAMCFRPQVSLTHHE-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.01
Rot. Bonds3

About N-[(5-methylfuran-3-yl)methyl]cyclohexanamine

N-[(5-methylfuran-3-yl)methyl]cyclohexanamine (PubChem CID 114820481) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(5-methylfuran-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-3-yl)methyl]cyclohexanamine
PubChem CID114820481
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(5-methylfuran-3-yl)methyl]cyclohexanamine
SMILESCc1cc(CNC2CCCCC2)co1
InChIInChI=1S/C12H19NO/c1-10-7-11(9-14-10)8-13-12-5-3-2-4-6-12/h7,9,12-13H,2-6,8H2,1H3
InChIKeyAMCFRPQVSLTHHE-UHFFFAOYSA-N
XLogP3.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-methylfuran-3-yl)methyl]cyclohexanamine (CID 114820481) is N-[(5-methylfuran-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-methylfuran-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-methylfuran-3-yl)methyl]cyclohexanamine is Cc1cc(CNC2CCCCC2)co1.
What is the InChIKey of N-[(5-methylfuran-3-yl)methyl]cyclohexanamine?
The InChIKey is AMCFRPQVSLTHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-7-11(9-14-10)8-13-12-5-3-2-4-6-12/h7,9,12-13H,2-6,8H2,1H3.
What are the key properties of N-[(5-methylfuran-3-yl)methyl]cyclohexanamine?
N-[(5-methylfuran-3-yl)methyl]cyclohexanamine has a molecular weight of 193.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 114820481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).