(1-ethoxy-4-ethylcycloheptyl)methanamine

C12H25NO — CID 66073194

IUPAC(1-ethoxy-4-ethylcycloheptyl)methanamine
SMILESCCOC1(CN)CCCC(CC)CC1
InChIInChI=1S/C12H25NO/c1-3-11-6-5-8-12(10-13,9-7-11)14-4-2/h11H,3-10,13H2,1-2H3
InChIKeyIXXLLQZFMPHNNW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds4

About (1-ethoxy-4-ethylcycloheptyl)methanamine

(1-ethoxy-4-ethylcycloheptyl)methanamine (PubChem CID 66073194) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1-ethoxy-4-ethylcycloheptyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4-ethylcycloheptyl)methanamine
PubChem CID66073194
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1-ethoxy-4-ethylcycloheptyl)methanamine
SMILESCCOC1(CN)CCCC(CC)CC1
InChIInChI=1S/C12H25NO/c1-3-11-6-5-8-12(10-13,9-7-11)14-4-2/h11H,3-10,13H2,1-2H3
InChIKeyIXXLLQZFMPHNNW-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-3-ethylcyclohexyl)methanamine
CID 66072990
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
CID 65052704
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
[1-(aminomethyl)-4-ethylcyclohexyl] acetate
CID 151244439
1-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
CID 65052309
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]oxybutanoate
CID 65052800
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-ethylcycloheptyl)methanamine?
The IUPAC name of (1-ethoxy-4-ethylcycloheptyl)methanamine (CID 66073194) is (1-ethoxy-4-ethylcycloheptyl)methanamine.
What is the SMILES notation for (1-ethoxy-4-ethylcycloheptyl)methanamine?
The canonical SMILES for (1-ethoxy-4-ethylcycloheptyl)methanamine is CCOC1(CN)CCCC(CC)CC1.
What is the InChIKey of (1-ethoxy-4-ethylcycloheptyl)methanamine?
The InChIKey is IXXLLQZFMPHNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11-6-5-8-12(10-13,9-7-11)14-4-2/h11H,3-10,13H2,1-2H3.
What are the key properties of (1-ethoxy-4-ethylcycloheptyl)methanamine?
(1-ethoxy-4-ethylcycloheptyl)methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-ethylcycloheptyl)methanamine is sourced from PubChem (CID 66073194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).