ethyl 7-amino-2-methylheptanoate;hydrochloride

C10H22ClNO2 — CID 87665728

IUPACethyl 7-amino-2-methylheptanoate;hydrochloride
SMILESCCOC(=O)C(C)CCCCCN.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-3-13-10(12)9(2)7-5-4-6-8-11;/h9H,3-8,11H2,1-2H3;1H
InChIKeyHGYLUTKYUIQPIK-UHFFFAOYSA-N
MW223.74 g/mol
LogP2.13
Rot. Bonds7

About ethyl 7-amino-2-methylheptanoate;hydrochloride

ethyl 7-amino-2-methylheptanoate;hydrochloride (PubChem CID 87665728) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is ethyl 7-amino-2-methylheptanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 7-amino-2-methylheptanoate;hydrochloride
PubChem CID87665728
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nameethyl 7-amino-2-methylheptanoate;hydrochloride
SMILESCCOC(=O)C(C)CCCCCN.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-3-13-10(12)9(2)7-5-4-6-8-11;/h9H,3-8,11H2,1-2H3;1H
InChIKeyHGYLUTKYUIQPIK-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Rac-ethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride
CID 13145623
Ethyl 7-amino-2-(propanoylselanylmethyl)heptanoate
CID 66563223
Propan-2-yl 7-aminoheptanoate
CID 24629
Methyl 8-aminooctanoate hydrochloride
CID 12878164
Undecyl 7-aminoheptanoate;hydrochloride
CID 46887842
Decyl 8-aminooctanoate;hydrochloride
CID 46887843
Octyl 10-aminodecanoate;hydrochloride
CID 46887844
Hexyl 12-aminododecanoate;hydrochloride
CID 46887885
Heptanoic acid, 7-amino-, ethyl ester
CID 12777410
3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)
CID 42779
ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate hydrochloride
CID 2724641
Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride
CID 12603945

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-methylheptanoate;hydrochloride?
The IUPAC name of ethyl 7-amino-2-methylheptanoate;hydrochloride (CID 87665728) is ethyl 7-amino-2-methylheptanoate;hydrochloride.
What is the SMILES notation for ethyl 7-amino-2-methylheptanoate;hydrochloride?
The canonical SMILES for ethyl 7-amino-2-methylheptanoate;hydrochloride is CCOC(=O)C(C)CCCCCN.Cl.
What is the InChIKey of ethyl 7-amino-2-methylheptanoate;hydrochloride?
The InChIKey is HGYLUTKYUIQPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-3-13-10(12)9(2)7-5-4-6-8-11;/h9H,3-8,11H2,1-2H3;1H.
What are the key properties of ethyl 7-amino-2-methylheptanoate;hydrochloride?
ethyl 7-amino-2-methylheptanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-methylheptanoate;hydrochloride is sourced from PubChem (CID 87665728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).