2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone

C16H30N2O — CID 104678353

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCCN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-7-6-10-18(14)15(19)11-16(12-17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3
InChIKeyABJYGUHOUOBQQX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 104678353) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID104678353
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCCN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-7-6-10-18(14)15(19)11-16(12-17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3
InChIKeyABJYGUHOUOBQQX-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 104677512
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056
(1-aminocyclopentyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62059351
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
CID 81169332
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
N'-hydroxy-1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone (CID 104678353) is 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCCN1C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is ABJYGUHOUOBQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)14-7-6-10-18(14)15(19)11-16(12-17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.93, 4 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-(2-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 104678353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).