N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine

C15H29NO2 — CID 116766050

IUPACN-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC1)C1(OCC)CCOCC1
InChIInChI=1S/C15H29NO2/c1-3-10-16-14(13-6-5-7-13)15(18-4-2)8-11-17-12-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMUBZFQALYJYAEB-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds7

About N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine

N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine (PubChem CID 116766050) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
PubChem CID116766050
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCC1)C1(OCC)CCOCC1
InChIInChI=1S/C15H29NO2/c1-3-10-16-14(13-6-5-7-13)15(18-4-2)8-11-17-12-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMUBZFQALYJYAEB-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 116768503
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine
CID 116770430
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611352
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
CID 79066378
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine (CID 116766050) is N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine is CCCNC(C1CCC1)C1(OCC)CCOCC1.
What is the InChIKey of N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
The InChIKey is MUBZFQALYJYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-10-16-14(13-6-5-7-13)15(18-4-2)8-11-17-12-9-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine?
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 116766050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).