2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone

C16H30N2O — CID 104678660

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
SMILESCCCC1CCN(C(=O)CC2(CN)CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-6-14-7-10-18(12-14)15(19)11-16(13-17)8-4-3-5-9-16/h14H,2-13,17H2,1H3
InChIKeyZXJODFUBVTXPCQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone (PubChem CID 104678660) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
PubChem CID104678660
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
SMILESCCCC1CCN(C(=O)CC2(CN)CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-6-14-7-10-18(12-14)15(19)11-16(13-17)8-4-3-5-9-16/h14H,2-13,17H2,1H3
InChIKeyZXJODFUBVTXPCQ-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone (CID 104678660) is 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone is CCCC1CCN(C(=O)CC2(CN)CCCCC2)C1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone?
The InChIKey is ZXJODFUBVTXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-6-14-7-10-18(12-14)15(19)11-16(13-17)8-4-3-5-9-16/h14H,2-13,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 104678660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).