3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine

C12H14N4 — CID 122667292

IUPAC3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine
SMILES[H]/N=C/C(=C\N)C1=CC2C(=CC=C2NC)N=C1
InChIInChI=1S/C12H14N4/c1-15-11-2-3-12-10(11)4-8(7-16-12)9(5-13)6-14/h2-7,10,13,15H,14H2,1H3/b9-6+,13-5+
InChIKeyWVYMKYQZFOVCSN-BZEYSLACSA-N
MW214.27 g/mol
LogP1.11
Rot. Bonds3

About 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine

3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine (PubChem CID 122667292) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine
PubChem CID122667292
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine
SMILES[H]/N=C/C(=C\N)C1=CC2C(=CC=C2NC)N=C1
InChIInChI=1S/C12H14N4/c1-15-11-2-3-12-10(11)4-8(7-16-12)9(5-13)6-14/h2-7,10,13,15H,14H2,1H3/b9-6+,13-5+
InChIKeyWVYMKYQZFOVCSN-BZEYSLACSA-N
XLogP1.11
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine?
The IUPAC name of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine (CID 122667292) is 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine.
What is the SMILES notation for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine?
The canonical SMILES for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine is [H]/N=C/C(=C\N)C1=CC2C(=CC=C2NC)N=C1.
What is the InChIKey of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine?
The InChIKey is WVYMKYQZFOVCSN-BZEYSLACSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-11-2-3-12-10(11)4-8(7-16-12)9(5-13)6-14/h2-7,10,13,15H,14H2,1H3/b9-6+,13-5+.
What are the key properties of 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine?
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine has a molecular weight of 214.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-4aH-cyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 122667292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).