2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide

C12H26N4O — CID 54773686

IUPAC2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C12H26N4O/c1-15(2)8-4-6-14-12(17)11-16-9-3-5-13-7-10-16/h13H,3-11H2,1-2H3,(H,14,17)
InChIKeyLABDMUIEKSJLQN-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.65
Rot. Bonds6

About 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide

2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 54773686) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID54773686
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C12H26N4O/c1-15(2)8-4-6-14-12(17)11-16-9-3-5-13-7-10-16/h13H,3-11H2,1-2H3,(H,14,17)
InChIKeyLABDMUIEKSJLQN-UHFFFAOYSA-N
XLogP-0.65
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 108995187
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide (CID 54773686) is 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is LABDMUIEKSJLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-15(2)8-4-6-14-12(17)11-16-9-3-5-13-7-10-16/h13H,3-11H2,1-2H3,(H,14,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 242.37 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 54773686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).