2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one

C14H28N4O2 — CID 43252712

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCCN(CCN)CC1
InChIInChI=1S/C14H28N4O2/c1-13(14(19)18-9-11-20-12-10-18)17-5-2-4-16(6-3-15)7-8-17/h13H,2-12,15H2,1H3
InChIKeyLBGABURISFDLIR-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.80
Rot. Bonds4

About 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 43252712) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID43252712
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCCN(CCN)CC1
InChIInChI=1S/C14H28N4O2/c1-13(14(19)18-9-11-20-12-10-18)17-5-2-4-16(6-3-15)7-8-17/h13H,2-12,15H2,1H3
InChIKeyLBGABURISFDLIR-UHFFFAOYSA-N
XLogP-0.80
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
CID 151041941
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
CID 43252717
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
CID 43252701
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
CID 107223182
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43252705
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methoxyethyl)propanamide
CID 43252719
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropylpropan-1-one
CID 83146972
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
acetamide;2-morpholin-4-ylethanamine
CID 158022700
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one (CID 43252712) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LBGABURISFDLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-13(14(19)18-9-11-20-12-10-18)17-5-2-4-16(6-3-15)7-8-17/h13H,2-12,15H2,1H3.
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 284.40 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43252712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).