1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide

C15H24N2O2 — CID 80588451

IUPAC1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC(C)CCc2ccco2)C1
InChIInChI=1S/C15H24N2O2/c1-11-8-15(9-11,10-16)14(18)17-12(2)5-6-13-4-3-7-19-13/h3-4,7,11-12H,5-6,8-10,16H2,1-2H3,(H,17,18)
InChIKeyAGDWSARIJOVTFP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds6

About 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80588451) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide
PubChem CID80588451
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC(C)CCc2ccco2)C1
InChIInChI=1S/C15H24N2O2/c1-11-8-15(9-11,10-16)14(18)17-12(2)5-6-13-4-3-7-19-13/h3-4,7,11-12H,5-6,8-10,16H2,1-2H3,(H,17,18)
InChIKeyAGDWSARIJOVTFP-UHFFFAOYSA-N
XLogP2.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80598644
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
N-[4-(furan-2-yl)butan-2-yl]-2-methylpiperidine-2-carboxamide
CID 104596634
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 63134948
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide (CID 80588451) is 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NC(C)CCc2ccco2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is AGDWSARIJOVTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-8-15(9-11,10-16)14(18)17-12(2)5-6-13-4-3-7-19-13/h3-4,7,11-12H,5-6,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).