(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

C15H29N3O2 — CID 66052618

IUPAC(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCC1CC(C(=O)N2CC(O)CC2CN(C)C)CCC1N
InChIInChI=1S/C15H29N3O2/c1-10-6-11(4-5-14(10)16)15(20)18-9-13(19)7-12(18)8-17(2)3/h10-14,19H,4-9,16H2,1-3H3
InChIKeyPOMFEKSZGAYLQF-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.27
Rot. Bonds3

About (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66052618) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID66052618
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCC1CC(C(=O)N2CC(O)CC2CN(C)C)CCC1N
InChIInChI=1S/C15H29N3O2/c1-10-6-11(4-5-14(10)16)15(20)18-9-13(19)7-12(18)8-17(2)3/h10-14,19H,4-9,16H2,1-3H3
InChIKeyPOMFEKSZGAYLQF-UHFFFAOYSA-N
XLogP0.27
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone
CID 114084952
1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 66053156
2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66053359
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052817
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 66053165
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 66054462
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 113353519

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (CID 66052618) is (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is CC1CC(C(=O)N2CC(O)CC2CN(C)C)CCC1N.
What is the InChIKey of (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is POMFEKSZGAYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10-6-11(4-5-14(10)16)15(20)18-9-13(19)7-12(18)8-17(2)3/h10-14,19H,4-9,16H2,1-3H3.
What are the key properties of (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 283.42 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66052618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).