2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one

C15H31N3O2 — CID 79661173

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCCN(CC(C)(C)CN)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H31N3O2/c1-5-6-18(12-15(3,4)11-16)13(2)14(19)17-7-9-20-10-8-17/h13H,5-12,16H2,1-4H3
InChIKeyNZCJRDUSNQXPCU-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.93
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 79661173) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID79661173
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCCN(CC(C)(C)CN)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H31N3O2/c1-5-6-18(12-15(3,4)11-16)13(2)14(19)17-7-9-20-10-8-17/h13H,5-12,16H2,1-4H3
InChIKeyNZCJRDUSNQXPCU-UHFFFAOYSA-N
XLogP0.93
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63225345
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 107485176
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072
N-(2-aminoethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 79155314
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
2,2-dimethyl-N'-(3-methylpentan-2-yl)-N'-propylpropane-1,3-diamine
CID 79661050

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one (CID 79661173) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one is CCCN(CC(C)(C)CN)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NZCJRDUSNQXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-6-18(12-15(3,4)11-16)13(2)14(19)17-7-9-20-10-8-17/h13H,5-12,16H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 285.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79661173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).