6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine

C19H29N5 — CID 153002259

IUPAC6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine
SMILES[H]/N=C1\C2CCC(N)C(C)=C2NC2C3=C(C=C(N)C12)NC(C)(C)C3C
InChIInChI=1S/C19H29N5/c1-8-11(20)6-5-10-16(22)15-12(21)7-13-14(18(15)23-17(8)10)9(2)19(3,4)24-13/h7,9-11,15,18,22-24H,5-6,20-21H2,1-4H3/b22-16+
InChIKeyUYJVLQDGDOBBJM-CJLVFECKSA-N
MW327.48 g/mol
LogP1.73
Rot. Bonds

About 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine

6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine (PubChem CID 153002259) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine.

Molecular Properties

Compound Name6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine
PubChem CID153002259
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine
SMILES[H]/N=C1\C2CCC(N)C(C)=C2NC2C3=C(C=C(N)C12)NC(C)(C)C3C
InChIInChI=1S/C19H29N5/c1-8-11(20)6-5-10-16(22)15-12(21)7-13-14(18(15)23-17(8)10)9(2)19(3,4)24-13/h7,9-11,15,18,22-24H,5-6,20-21H2,1-4H3/b22-16+
InChIKeyUYJVLQDGDOBBJM-CJLVFECKSA-N
XLogP1.73
TPSA99.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine?
The IUPAC name of 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine (CID 153002259) is 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine.
What is the SMILES notation for 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine?
The canonical SMILES for 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine is [H]/N=C1\C2CCC(N)C(C)=C2NC2C3=C(C=C(N)C12)NC(C)(C)C3C.
What is the InChIKey of 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine?
The InChIKey is UYJVLQDGDOBBJM-CJLVFECKSA-N. The full InChI is InChI=1S/C19H29N5/c1-8-11(20)6-5-10-16(22)15-12(21)7-13-14(18(15)23-17(8)10)9(2)19(3,4)24-13/h7,9-11,15,18,22-24H,5-6,20-21H2,1-4H3/b22-16+.
What are the key properties of 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine?
6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine has a molecular weight of 327.48 g/mol, XLogP of 1.73, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,2,2,10-tetramethyl-3,5a,6a,7,8,9,11,11a-octahydro-1H-pyrrolo[2,3-c]acridine-5,9-diamine is sourced from PubChem (CID 153002259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).