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

C16H29N3O2 — CID 63175044

IUPAC(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCC1CCCC(C(=O)N2CCC(N3CCOCC3)C2)C1N
InChIInChI=1S/C16H29N3O2/c1-12-3-2-4-14(15(12)17)16(20)19-6-5-13(11-19)18-7-9-21-10-8-18/h12-15H,2-11,17H2,1H3
InChIKeyKGVNCFBFOLCVOQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.68
Rot. Bonds2

About (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 63175044) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID63175044
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCC1CCCC(C(=O)N2CCC(N3CCOCC3)C2)C1N
InChIInChI=1S/C16H29N3O2/c1-12-3-2-4-14(15(12)17)16(20)19-6-5-13(11-19)18-7-9-21-10-8-18/h12-15H,2-11,17H2,1H3
InChIKeyKGVNCFBFOLCVOQ-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 63175044) is (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is CC1CCCC(C(=O)N2CCC(N3CCOCC3)C2)C1N.
What is the InChIKey of (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is KGVNCFBFOLCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12-3-2-4-14(15(12)17)16(20)19-6-5-13(11-19)18-7-9-21-10-8-18/h12-15H,2-11,17H2,1H3.
What are the key properties of (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63175044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).