(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C16H29N3O2 — CID 64552763

IUPAC(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C16H29N3O2/c1-13-3-2-5-16(17,11-13)15(20)19-6-4-14(12-19)18-7-9-21-10-8-18/h13-14H,2-12,17H2,1H3
InChIKeyVCBJFVDYPLBSNJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 64552763) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID64552763
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C16H29N3O2/c1-13-3-2-5-16(17,11-13)15(20)19-6-4-14(12-19)18-7-9-21-10-8-18/h13-14H,2-12,17H2,1H3
InChIKeyVCBJFVDYPLBSNJ-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249
1-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 79628739
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 63516166
(3-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63172091
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 64552763) is (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is CC1CCCC(N)(C(=O)N2CCC(N3CCOCC3)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is VCBJFVDYPLBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13-3-2-5-16(17,11-13)15(20)19-6-4-14(12-19)18-7-9-21-10-8-18/h13-14H,2-12,17H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 64552763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).