3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine

C12H19N3 — CID 139365468

IUPAC3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine
SMILES[H]/N=C1\N=C(N)C2=C1CCCCCCCC2
InChIInChI=1S/C12H19N3/c13-11-9-7-5-3-1-2-4-6-8-10(9)12(14)15-11/h1-8H2,(H3,13,14,15)
InChIKeyKGPCSZFAWOLWGT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds

About 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine

3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine (PubChem CID 139365468) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine.

Molecular Properties

Compound Name3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine
PubChem CID139365468
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine
SMILES[H]/N=C1\N=C(N)C2=C1CCCCCCCC2
InChIInChI=1S/C12H19N3/c13-11-9-7-5-3-1-2-4-6-8-10(9)12(14)15-11/h1-8H2,(H3,13,14,15)
InChIKeyKGPCSZFAWOLWGT-UHFFFAOYSA-N
XLogP2.77
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine?
The IUPAC name of 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine (CID 139365468) is 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine.
What is the SMILES notation for 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine?
The canonical SMILES for 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine is [H]/N=C1\N=C(N)C2=C1CCCCCCCC2.
What is the InChIKey of 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine?
The InChIKey is KGPCSZFAWOLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-11-9-7-5-3-1-2-4-6-8-10(9)12(14)15-11/h1-8H2,(H3,13,14,15).
What are the key properties of 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine?
3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4,5,6,7,8,9,10,11-octahydrocyclodeca[c]pyrrol-1-amine is sourced from PubChem (CID 139365468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).