2-amino-N,N'-diethylpropanediamide

C7H15N3O2 — CID 88901749

IUPAC2-amino-N,N'-diethylpropanediamide
SMILESCCNC(=O)C(N)C(=O)NCC
InChIInChI=1S/C7H15N3O2/c1-3-9-6(11)5(8)7(12)10-4-2/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyAMGZBZMBZCUEPO-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.41
Rot. Bonds4

About 2-amino-N,N'-diethylpropanediamide

2-amino-N,N'-diethylpropanediamide (PubChem CID 88901749) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-amino-N,N'-diethylpropanediamide.

Molecular Properties

Compound Name2-amino-N,N'-diethylpropanediamide
PubChem CID88901749
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-amino-N,N'-diethylpropanediamide
SMILESCCNC(=O)C(N)C(=O)NCC
InChIInChI=1S/C7H15N3O2/c1-3-9-6(11)5(8)7(12)10-4-2/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyAMGZBZMBZCUEPO-UHFFFAOYSA-N
XLogP-1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-ethyl-3-(methylamino)propanamide
CID 89258842
(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
CID 139691176
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
2-amino-N-ethyl-4-oxobutanamide
CID 143988292
(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141480
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N'-diethylpropanediamide?
The IUPAC name of 2-amino-N,N'-diethylpropanediamide (CID 88901749) is 2-amino-N,N'-diethylpropanediamide.
What is the SMILES notation for 2-amino-N,N'-diethylpropanediamide?
The canonical SMILES for 2-amino-N,N'-diethylpropanediamide is CCNC(=O)C(N)C(=O)NCC.
What is the InChIKey of 2-amino-N,N'-diethylpropanediamide?
The InChIKey is AMGZBZMBZCUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-9-6(11)5(8)7(12)10-4-2/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-amino-N,N'-diethylpropanediamide?
2-amino-N,N'-diethylpropanediamide has a molecular weight of 173.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N'-diethylpropanediamide is sourced from PubChem (CID 88901749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).