azane;dimethylamino 5-aminopentanoate

C7H19N3O2 — CID 174441073

IUPACazane;dimethylamino 5-aminopentanoate
SMILESCN(C)OC(=O)CCCCN.N
InChIInChI=1S/C7H16N2O2.H3N/c1-9(2)11-7(10)5-3-4-6-8;/h3-6,8H2,1-2H3;1H3
InChIKeyGGGHROSGAVNFNQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.30
Rot. Bonds5

About azane;dimethylamino 5-aminopentanoate

azane;dimethylamino 5-aminopentanoate (PubChem CID 174441073) has the molecular formula C7H19N3O2 and a molecular weight of 177.25 g/mol. Its IUPAC name is azane;dimethylamino 5-aminopentanoate.

Molecular Properties

Compound Nameazane;dimethylamino 5-aminopentanoate
PubChem CID174441073
Molecular FormulaC7H19N3O2
Molecular Weight177.25 g/mol
Exact Mass177.15
IUPAC Nameazane;dimethylamino 5-aminopentanoate
SMILESCN(C)OC(=O)CCCCN.N
InChIInChI=1S/C7H16N2O2.H3N/c1-9(2)11-7(10)5-3-4-6-8;/h3-6,8H2,1-2H3;1H3
InChIKeyGGGHROSGAVNFNQ-UHFFFAOYSA-N
XLogP0.30
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethylamino pentadecanoate
CID 57147620
methyl 10-aminodecanoate
CID 10655700
amino 5-aminopentanoate
CID 22929227
9-aminononanoyl 12-aminododecanoate
CID 88667925
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
6-aminohexaneperoxoic acid
CID 22717715
12-aminododecaneperoxoic acid
CID 19931514
amino 8-aminooctanoate
CID 87659694
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
S-(dimethylamino) 6-aminohexanethioate
CID 54348983
[butanoyl(formyl)amino] 7-aminoheptanoate
CID 155691855
methylamino 6-aminohexanoate
CID 176679368

Frequently Asked Questions

What is the IUPAC name of azane;dimethylamino 5-aminopentanoate?
The IUPAC name of azane;dimethylamino 5-aminopentanoate (CID 174441073) is azane;dimethylamino 5-aminopentanoate.
What is the SMILES notation for azane;dimethylamino 5-aminopentanoate?
The canonical SMILES for azane;dimethylamino 5-aminopentanoate is CN(C)OC(=O)CCCCN.N.
What is the InChIKey of azane;dimethylamino 5-aminopentanoate?
The InChIKey is GGGHROSGAVNFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.H3N/c1-9(2)11-7(10)5-3-4-6-8;/h3-6,8H2,1-2H3;1H3.
What are the key properties of azane;dimethylamino 5-aminopentanoate?
azane;dimethylamino 5-aminopentanoate has a molecular weight of 177.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dimethylamino 5-aminopentanoate is sourced from PubChem (CID 174441073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).