2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone

C12H24N2O2 — CID 103746720

IUPAC2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
SMILESCCC(C)(CC)NCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(3,5-2)13-10-11(15)14-6-8-16-9-7-14/h13H,4-10H2,1-3H3
InChIKeyDNNMFZIKJMHZSN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

About 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone

2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone (PubChem CID 103746720) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
PubChem CID103746720
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
SMILESCCC(C)(CC)NCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-12(3,5-2)13-10-11(15)14-6-8-16-9-7-14/h13H,4-10H2,1-3H3
InChIKeyDNNMFZIKJMHZSN-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 61218287
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
2-[(2-hydroxy-2-methylpentyl)amino]-1-morpholin-4-ylethanone
CID 114169442
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
3-methyl-3-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838241
N-butyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 113406059
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1-morpholin-4-ylethanone
CID 106147488
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone (CID 103746720) is 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone is CCC(C)(CC)NCC(=O)N1CCOCC1.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone?
The InChIKey is DNNMFZIKJMHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(3,5-2)13-10-11(15)14-6-8-16-9-7-14/h13H,4-10H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone?
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 103746720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).