N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine

C16H23N3O — CID 122158285

IUPACN-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
SMILESCn1ccnc1CN(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C16H23N3O/c1-18-9-8-17-16(18)12-19(11-14-7-10-20-13-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3
InChIKeyUBABBAYAQSWEQE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.35
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine

N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine (PubChem CID 122158285) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
PubChem CID122158285
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
SMILESCn1ccnc1CN(Cc1ccoc1)C1CCCCC1
InChIInChI=1S/C16H23N3O/c1-18-9-8-17-16(18)12-19(11-14-7-10-20-13-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3
InChIKeyUBABBAYAQSWEQE-UHFFFAOYSA-N
XLogP3.35
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77092489
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine
CID 124757448
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63026368
N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 77092740
N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77091426
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 50972306
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 56705149

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine (CID 122158285) is N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine is Cn1ccnc1CN(Cc1ccoc1)C1CCCCC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine?
The InChIKey is UBABBAYAQSWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-9-8-17-16(18)12-19(11-14-7-10-20-13-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine?
N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine has a molecular weight of 273.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 122158285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).