3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide

C6H15N5O — CID 123532737

IUPAC3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(NCCN)C(=O)NC
InChIInChI=1S/C6H15N5O/c1-10-6(12)4(5(8)9)11-3-2-7/h4,11H,2-3,7H2,1H3,(H3,8,9)(H,10,12)
InChIKeyJOXSWPYPDVIQQM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-2.41
Rot. Bonds5

About 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide

3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide (PubChem CID 123532737) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
PubChem CID123532737
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC Name3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(NCCN)C(=O)NC
InChIInChI=1S/C6H15N5O/c1-10-6(12)4(5(8)9)11-3-2-7/h4,11H,2-3,7H2,1H3,(H3,8,9)(H,10,12)
InChIKeyJOXSWPYPDVIQQM-UHFFFAOYSA-N
XLogP-2.41
TPSA117.02 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-2-(formylamino)-3-iminopropanamide
CID 44719376
2,3-diamino-3-imino-N,2-dimethylpropanamide
CID 89120057
N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 90126408
3-amino-3-imino-N-propan-2-ylpropanamide
CID 99990041
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
3-Amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
CID 123374487
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 123586413
3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide
CID 123873218
7,8-Diamino-5-methyl-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 123945777
2-[(1-Amino-1-iminopropan-2-yl)amino]acetamide
CID 123994136
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
CID 141396645

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide?
The IUPAC name of 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide (CID 123532737) is 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide.
What is the SMILES notation for 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide?
The canonical SMILES for 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide is [H]/N=C(\N)C(NCCN)C(=O)NC.
What is the InChIKey of 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide?
The InChIKey is JOXSWPYPDVIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c1-10-6(12)4(5(8)9)11-3-2-7/h4,11H,2-3,7H2,1H3,(H3,8,9)(H,10,12).
What are the key properties of 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide?
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide has a molecular weight of 173.22 g/mol, XLogP of -2.41, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide is sourced from PubChem (CID 123532737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).