(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C15H29N3O — CID 102706729

IUPAC(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC1CC(C)C(C(=O)N2CCC(N(C)C)C2)CC1N
InChIInChI=1S/C15H29N3O/c1-10-7-11(2)14(16)8-13(10)15(19)18-6-5-12(9-18)17(3)4/h10-14H,5-9,16H2,1-4H3
InChIKeySYBMILXKIRCOAE-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.16
Rot. Bonds2

About (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 102706729) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID102706729
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC1CC(C)C(C(=O)N2CCC(N(C)C)C2)CC1N
InChIInChI=1S/C15H29N3O/c1-10-7-11(2)14(16)8-13(10)15(19)18-6-5-12(9-18)17(3)4/h10-14H,5-9,16H2,1-4H3
InChIKeySYBMILXKIRCOAE-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2,4-dimethylcyclohexyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 102706478
(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63175042
(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 102706777
(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 102706745
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693
(5-amino-2,4-dimethylcyclohexyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 102706928
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 102706440
(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 102706729) is (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CC1CC(C)C(C(=O)N2CCC(N(C)C)C2)CC1N.
What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is SYBMILXKIRCOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-10-7-11(2)14(16)8-13(10)15(19)18-6-5-12(9-18)17(3)4/h10-14H,5-9,16H2,1-4H3.
What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102706729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).