N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide

C14H23N3O2 — CID 122080658

IUPACN-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide
SMILESNCc1cc(C(=O)NC(CN)C2CCCCC2)co1
InChIInChI=1S/C14H23N3O2/c15-7-12-6-11(9-19-12)14(18)17-13(8-16)10-4-2-1-3-5-10/h6,9-10,13H,1-5,7-8,15-16H2,(H,17,18)
InChIKeyHXCQDGDEIPBMLS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide (PubChem CID 122080658) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide
PubChem CID122080658
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide
SMILESNCc1cc(C(=O)NC(CN)C2CCCCC2)co1
InChIInChI=1S/C14H23N3O2/c15-7-12-6-11(9-19-12)14(18)17-13(8-16)10-4-2-1-3-5-10/h6,9-10,13H,1-5,7-8,15-16H2,(H,17,18)
InChIKeyHXCQDGDEIPBMLS-UHFFFAOYSA-N
XLogP1.38
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
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CID 81486899
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
CID 81425114
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
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CID 115309240

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide (CID 122080658) is N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide is NCc1cc(C(=O)NC(CN)C2CCCCC2)co1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide?
The InChIKey is HXCQDGDEIPBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-7-12-6-11(9-19-12)14(18)17-13(8-16)10-4-2-1-3-5-10/h6,9-10,13H,1-5,7-8,15-16H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-(aminomethyl)furan-3-carboxamide is sourced from PubChem (CID 122080658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).