(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C14H27N3O — CID 63175042

IUPAC(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(C(=O)N2CCC(N(C)C)C2)C1N
InChIInChI=1S/C14H27N3O/c1-10-5-4-6-12(13(10)15)14(18)17-8-7-11(9-17)16(2)3/h10-13H,4-9,15H2,1-3H3
InChIKeyWVVLEXVTKHVDMJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds2

About (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63175042) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63175042
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(C(=O)N2CCC(N(C)C)C2)C1N
InChIInChI=1S/C14H27N3O/c1-10-5-4-6-12(13(10)15)14(18)17-8-7-11(9-17)16(2)3/h10-13H,4-9,15H2,1-3H3
InChIKeyWVVLEXVTKHVDMJ-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63175044
(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
CID 62777723
(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone
CID 55116652
(2-amino-3-methylcyclohexyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 62994328
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
1-(2-amino-3-methylcyclohexanecarbonyl)-6-methylpiperidine-3-carboxamide
CID 62783233
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780403
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79186972

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63175042) is (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CC1CCCC(C(=O)N2CCC(N(C)C)C2)C1N.
What is the InChIKey of (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is WVVLEXVTKHVDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-5-4-6-12(13(10)15)14(18)17-8-7-11(9-17)16(2)3/h10-13H,4-9,15H2,1-3H3.
What are the key properties of (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63175042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).