N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C18H31NO2 — CID 64851577

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCc1cc(C(C)NC2CC(OCC(C)C)C2(C)C)c(C)o1
InChIInChI=1S/C18H31NO2/c1-11(2)10-20-17-9-16(18(17,6)7)19-13(4)15-8-12(3)21-14(15)5/h8,11,13,16-17,19H,9-10H2,1-7H3
InChIKeyYDLVLKZDBBTPSS-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.39
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64851577) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64851577
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCc1cc(C(C)NC2CC(OCC(C)C)C2(C)C)c(C)o1
InChIInChI=1S/C18H31NO2/c1-11(2)10-20-17-9-16(18(17,6)7)19-13(4)15-8-12(3)21-14(15)5/h8,11,13,16-17,19H,9-10H2,1-7H3
InChIKeyYDLVLKZDBBTPSS-UHFFFAOYSA-N
XLogP4.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836949
2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852361
1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine
CID 82710440
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64852507
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
N-[1-(2,5-dimethylfuran-3-yl)ethyl]adamantan-2-amine
CID 43720446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64851577) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is Cc1cc(C(C)NC2CC(OCC(C)C)C2(C)C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is YDLVLKZDBBTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-11(2)10-20-17-9-16(18(17,6)7)19-13(4)15-8-12(3)21-14(15)5/h8,11,13,16-17,19H,9-10H2,1-7H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64851577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).