methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate

C16H30N2O2 — CID 104691659

IUPACmethyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
SMILESCCC1CCCCCN1C1CCCC(N)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-3-13-8-5-4-6-11-18(13)14-9-7-10-16(17,12-14)15(19)20-2/h13-14H,3-12,17H2,1-2H3
InChIKeyAAQFOXZEABAJHL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.45
Rot. Bonds3

About methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate

methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate (PubChem CID 104691659) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
PubChem CID104691659
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
SMILESCCC1CCCCCN1C1CCCC(N)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-3-13-8-5-4-6-11-18(13)14-9-7-10-16(17,12-14)15(19)20-2/h13-14H,3-12,17H2,1-2H3
InChIKeyAAQFOXZEABAJHL-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79654810
1-amino-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxamide
CID 83062060
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate
CID 79636666
methyl 1-amino-3-(4-tert-butylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79627839
methyl 1-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 79641971
methyl 1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylate
CID 79633959
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate (CID 104691659) is methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate is CCC1CCCCCN1C1CCCC(N)(C(=O)OC)C1.
What is the InChIKey of methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate?
The InChIKey is AAQFOXZEABAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-13-8-5-4-6-11-18(13)14-9-7-10-16(17,12-14)15(19)20-2/h13-14H,3-12,17H2,1-2H3.
What are the key properties of methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate?
methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 104691659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).