2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide

C13H27N5O2 — CID 43253136

IUPAC2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
SMILESNCCCCCN1CCCN(CC(=O)NC(N)=O)CC1
InChIInChI=1S/C13H27N5O2/c14-5-2-1-3-6-17-7-4-8-18(10-9-17)11-12(19)16-13(15)20/h1-11,14H2,(H3,15,16,19,20)
InChIKeyQLQTUKUZWFPBRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.68
Rot. Bonds7

About 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide

2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide (PubChem CID 43253136) has the molecular formula C13H27N5O2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
PubChem CID43253136
Molecular FormulaC13H27N5O2
Molecular Weight285.39 g/mol
Exact Mass285.22
IUPAC Name2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
SMILESNCCCCCN1CCCN(CC(=O)NC(N)=O)CC1
InChIInChI=1S/C13H27N5O2/c14-5-2-1-3-6-17-7-4-8-18(10-9-17)11-12(19)16-13(15)20/h1-11,14H2,(H3,15,16,19,20)
InChIKeyQLQTUKUZWFPBRU-UHFFFAOYSA-N
XLogP-0.68
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
CID 43252755
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide
CID 63892034
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide (CID 43253136) is 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide is NCCCCCN1CCCN(CC(=O)NC(N)=O)CC1.
What is the InChIKey of 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide?
The InChIKey is QLQTUKUZWFPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2/c14-5-2-1-3-6-17-7-4-8-18(10-9-17)11-12(19)16-13(15)20/h1-11,14H2,(H3,15,16,19,20).
What are the key properties of 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide?
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide has a molecular weight of 285.39 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 43253136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).