2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone

C15H29N3O — CID 63611894

IUPAC2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C15H29N3O/c1-17(2)14-7-8-18(11-14)15(19)9-12-3-5-13(10-16)6-4-12/h12-14H,3-11,16H2,1-2H3
InChIKeySKTZFOISTHGCMK-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone

2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 63611894) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
PubChem CID63611894
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C15H29N3O/c1-17(2)14-7-8-18(11-14)15(19)9-12-3-5-13(10-16)6-4-12/h12-14H,3-11,16H2,1-2H3
InChIKeySKTZFOISTHGCMK-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63174996
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
1-[4-(dimethylamino)piperidin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
CID 47082292
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
CID 177006682

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone (CID 63611894) is 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone is CN(C)C1CCN(C(=O)CC2CCC(CN)CC2)C1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is SKTZFOISTHGCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(2)14-7-8-18(11-14)15(19)9-12-3-5-13(10-16)6-4-12/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone?
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 63611894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).