1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine

C8H15N3 — CID 148596054

IUPAC1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine
SMILES[H]/N=C1\C(=C(C)N)CNC1(C)C
InChIInChI=1S/C8H15N3/c1-5(9)6-4-11-8(2,3)7(6)10/h10-11H,4,9H2,1-3H3/b6-5?,10-7+
InChIKeyQONPEVMLXTWDLR-JDVLXEGBSA-N
MW153.23 g/mol
LogP0.62
Rot. Bonds

About 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine

1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine (PubChem CID 148596054) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine.

Molecular Properties

Compound Name1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine
PubChem CID148596054
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine
SMILES[H]/N=C1\C(=C(C)N)CNC1(C)C
InChIInChI=1S/C8H15N3/c1-5(9)6-4-11-8(2,3)7(6)10/h10-11H,4,9H2,1-3H3/b6-5?,10-7+
InChIKeyQONPEVMLXTWDLR-JDVLXEGBSA-N
XLogP0.62
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine?
The IUPAC name of 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine (CID 148596054) is 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine.
What is the SMILES notation for 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine?
The canonical SMILES for 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine is [H]/N=C1\C(=C(C)N)CNC1(C)C.
What is the InChIKey of 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine?
The InChIKey is QONPEVMLXTWDLR-JDVLXEGBSA-N. The full InChI is InChI=1S/C8H15N3/c1-5(9)6-4-11-8(2,3)7(6)10/h10-11H,4,9H2,1-3H3/b6-5?,10-7+.
What are the key properties of 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine?
1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imino-5,5-dimethylpyrrolidin-3-ylidene)ethanamine is sourced from PubChem (CID 148596054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).