ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate

C17H32N2O2 — CID 65282142

IUPACethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCCC(C)(C)CC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-4-21-16(20)15(18-14-6-7-14)8-12-19-11-5-9-17(2,3)10-13-19/h14-15,18H,4-13H2,1-3H3
InChIKeyCBGBLANDUZIOEP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate

ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate (PubChem CID 65282142) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
PubChem CID65282142
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCCC(C)(C)CC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-4-21-16(20)15(18-14-6-7-14)8-12-19-11-5-9-17(2,3)10-13-19/h14-15,18H,4-13H2,1-3H3
InChIKeyCBGBLANDUZIOEP-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate (CID 65282142) is ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate is CCOC(=O)C(CCN1CCCC(C)(C)CC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate?
The InChIKey is CBGBLANDUZIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-21-16(20)15(18-14-6-7-14)8-12-19-11-5-9-17(2,3)10-13-19/h14-15,18H,4-13H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate?
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate is sourced from PubChem (CID 65282142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).