(1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine

C23H28N2 — CID 102260852

IUPAC(1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine
SMILESC[C@H](C[C@H](C1C=CC=C1/N=C/c1ccccc1)N(C)C)C1C=CC=C1
InChIInChI=1S/C23H28N2/c1-18(20-12-7-8-13-20)16-23(25(2)3)21-14-9-15-22(21)24-17-19-10-5-4-6-11-19/h4-15,17-18,20-21,23H,16H2,1-3H3/b24-17+/t18-,21?,23-/m1/s1
InChIKeyOAWQNWOLLQKSLJ-OSJNENEJSA-N
MW332.49 g/mol
LogP4.87
Rot. Bonds7

About (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine

(1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine (PubChem CID 102260852) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name(1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine
PubChem CID102260852
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine
SMILESC[C@H](C[C@H](C1C=CC=C1/N=C/c1ccccc1)N(C)C)C1C=CC=C1
InChIInChI=1S/C23H28N2/c1-18(20-12-7-8-13-20)16-23(25(2)3)21-14-9-15-22(21)24-17-19-10-5-4-6-11-19/h4-15,17-18,20-21,23H,16H2,1-3H3/b24-17+/t18-,21?,23-/m1/s1
InChIKeyOAWQNWOLLQKSLJ-OSJNENEJSA-N
XLogP4.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
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 (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine?
The IUPAC name of (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine (CID 102260852) is (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine?
The canonical SMILES for (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine is C[C@H](C[C@H](C1C=CC=C1/N=C/c1ccccc1)N(C)C)C1C=CC=C1.
What is the InChIKey of (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine?
The InChIKey is OAWQNWOLLQKSLJ-OSJNENEJSA-N. The full InChI is InChI=1S/C23H28N2/c1-18(20-12-7-8-13-20)16-23(25(2)3)21-14-9-15-22(21)24-17-19-10-5-4-6-11-19/h4-15,17-18,20-21,23H,16H2,1-3H3/b24-17+/t18-,21?,23-/m1/s1.
What are the key properties of (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine?
(1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine has a molecular weight of 332.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[2-(benzylideneamino)cyclopenta-2,4-dien-1-yl]-3-cyclopenta-2,4-dien-1-yl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 102260852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).