1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate

C7H17N3O2 — CID 19853524

IUPAC1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCCC(N)OC(=O)CNN(C)C
InChIInChI=1S/C7H17N3O2/c1-4-6(8)12-7(11)5-9-10(2)3/h6,9H,4-5,8H2,1-3H3
InChIKeyJZBDRFDBKYXHQI-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.71
Rot. Bonds5

About 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate

1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate (PubChem CID 19853524) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate.

Molecular Properties

Compound Name1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate
PubChem CID19853524
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCCC(N)OC(=O)CNN(C)C
InChIInChI=1S/C7H17N3O2/c1-4-6(8)12-7(11)5-9-10(2)3/h6,9H,4-5,8H2,1-3H3
InChIKeyJZBDRFDBKYXHQI-UHFFFAOYSA-N
XLogP-0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-aminopropyl butanoate
CID 174612990
butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 83014680
1-aminopropyl hexadecanoate
CID 87346245
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
CID 103261017
1-aminopropyl methoxymethyl carbonate
CID 90464297
1-aminopropyl prop-2-enoate;2-(dimethylamino)propanoic acid
CID 174713599
1-aminopropyl prop-2-enoate;butane
CID 87190109
(2S,3S)-2-amino-N',N',3-trimethylpentanehydrazide
CID 83021185
1-aminopropyl 2-(hydroxymethyl)prop-2-enoate
CID 141415033
2-amino-3-(2,2-dimethylhydrazinyl)propanoic acid
CID 83024526
1-aminopropyl benzoate;copper
CID 70588917
methyl 2-(dimethylamino)butanoate
CID 14644900

Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate?
The IUPAC name of 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate (CID 19853524) is 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate.
What is the SMILES notation for 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate?
The canonical SMILES for 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate is CCC(N)OC(=O)CNN(C)C.
What is the InChIKey of 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate?
The InChIKey is JZBDRFDBKYXHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-4-6(8)12-7(11)5-9-10(2)3/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate?
1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate has a molecular weight of 175.23 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl 2-(2,2-dimethylhydrazinyl)acetate is sourced from PubChem (CID 19853524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).