N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine

C10H14BrNO — CID 131042732

IUPACN-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2coc(Br)c2)C1
InChIInChI=1S/C10H14BrNO/c1-7-2-9(3-7)12-5-8-4-10(11)13-6-8/h4,6-7,9,12H,2-3,5H2,1H3
InChIKeyLCZUPRKJFBMUNK-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.93
Rot. Bonds3

About N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine

N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 131042732) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
PubChem CID131042732
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC NameN-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2coc(Br)c2)C1
InChIInChI=1S/C10H14BrNO/c1-7-2-9(3-7)12-5-8-4-10(11)13-6-8/h4,6-7,9,12H,2-3,5H2,1H3
InChIKeyLCZUPRKJFBMUNK-UHFFFAOYSA-N
XLogP2.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
CID 130962059
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 130636961
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671512
3-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclobutan-1-amine
CID 103438072
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan
CID 130690129
N-[(5-methylfuran-3-yl)methyl]cyclohexanamine
CID 114820481
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
N-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732711
2,6-dibromo-4-[[(3-methylcyclopentyl)amino]methyl]phenol
CID 107741117

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine (CID 131042732) is N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2coc(Br)c2)C1.
What is the InChIKey of N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is LCZUPRKJFBMUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-2-9(3-7)12-5-8-4-10(11)13-6-8/h4,6-7,9,12H,2-3,5H2,1H3.
What are the key properties of N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine?
N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 131042732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).