N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C14H23NO — CID 65194561

IUPACN-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccco2)CCC1
InChIInChI=1S/C14H23NO/c1-13(2,3)15-11-14(7-5-8-14)10-12-6-4-9-16-12/h4,6,9,15H,5,7-8,10-11H2,1-3H3
InChIKeyALXUWIMKWBGSQJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.38
Rot. Bonds4

About N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 65194561) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID65194561
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccco2)CCC1
InChIInChI=1S/C14H23NO/c1-13(2,3)15-11-14(7-5-8-14)10-12-6-4-9-16-12/h4,6,9,15H,5,7-8,10-11H2,1-3H3
InChIKeyALXUWIMKWBGSQJ-UHFFFAOYSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
N-[[1-(furan-2-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024468
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
CID 66036401
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 65194561) is N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccco2)CCC1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ALXUWIMKWBGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)15-11-14(7-5-8-14)10-12-6-4-9-16-12/h4,6,9,15H,5,7-8,10-11H2,1-3H3.
What are the key properties of N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65194561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).