N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine

C13H21NO2 — CID 104584627

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)CCc2ccco2)C1
InChIInChI=1S/C13H21NO2/c1-10(5-6-12-4-3-7-16-12)14-11-8-13(9-11)15-2/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3
InChIKeyYVPHHFPQAZMTFK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine

N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine (PubChem CID 104584627) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
PubChem CID104584627
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)CCc2ccco2)C1
InChIInChI=1S/C13H21NO2/c1-10(5-6-12-4-3-7-16-12)14-11-8-13(9-11)15-2/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3
InChIKeyYVPHHFPQAZMTFK-UHFFFAOYSA-N
XLogP2.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568
N-[2-(furan-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870790
3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
CID 43634569
3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
CID 114210422
trans-(1R,2R)-2-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 124726359
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine (CID 104584627) is N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)CCc2ccco2)C1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine?
The InChIKey is YVPHHFPQAZMTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(5-6-12-4-3-7-16-12)14-11-8-13(9-11)15-2/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine?
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104584627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).