3-amino-N-tert-butyl-3-iminopropanamide

C7H15N3O — CID 99990064

IUPAC3-amino-N-tert-butyl-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)NC(C)(C)C
InChIInChI=1S/C7H15N3O/c1-7(2,3)10-6(11)4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)
InChIKeyAMBBMORJQAXOHB-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.23
Rot. Bonds2

About 3-amino-N-tert-butyl-3-iminopropanamide

3-amino-N-tert-butyl-3-iminopropanamide (PubChem CID 99990064) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-3-iminopropanamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-3-iminopropanamide
PubChem CID99990064
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-amino-N-tert-butyl-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)NC(C)(C)C
InChIInChI=1S/C7H15N3O/c1-7(2,3)10-6(11)4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)
InChIKeyAMBBMORJQAXOHB-UHFFFAOYSA-N
XLogP0.23
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-3-iminopropanamide?
The IUPAC name of 3-amino-N-tert-butyl-3-iminopropanamide (CID 99990064) is 3-amino-N-tert-butyl-3-iminopropanamide.
What is the SMILES notation for 3-amino-N-tert-butyl-3-iminopropanamide?
The canonical SMILES for 3-amino-N-tert-butyl-3-iminopropanamide is [H]/N=C(\N)CC(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-tert-butyl-3-iminopropanamide?
The InChIKey is AMBBMORJQAXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(2,3)10-6(11)4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11).
What are the key properties of 3-amino-N-tert-butyl-3-iminopropanamide?
3-amino-N-tert-butyl-3-iminopropanamide has a molecular weight of 157.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-3-iminopropanamide is sourced from PubChem (CID 99990064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).